bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine

C181H388F6N18 — CID 167602523

IUPACbis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine
SMILESCC.CC.CC.CC.CC.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C)CN1C(C)C.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C)CCN1C(C)C.CF.CF
InChIInChI=1S/2C11H24N2.7C11H23N.2C10H19F2N.5C10H21N.5C2H6.2CH3F/c1-9(2)11-8-12(5)6-7-13(11)10(3)4;1-9(2)11-6-7-12(5)8-13(11)10(3)4;3*1-9(2)11-6-5-7-12(8-11)10(3)4;4*1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-7(2)9-5-13(8(3)4)6-10(9,11)12;5*1-8(2)10-5-6-11(7-10)9(3)4;7*1-2/h2*9-11H,6-8H2,1-5H3;7*9-11H,5-8H2,1-4H3;2*7-9H,5-6H2,1-4H3;5*8-10H,5-7H2,1-4H3;5*1-2H3;2*1H3
InChIKeyJXWHTLCBPVTTFL-UHFFFAOYSA-N
MW2931.21 g/mol
LogP46.99
Rot. Bonds32

About bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine

bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine (PubChem CID 167602523) has the molecular formula C181H388F6N18 and a molecular weight of 2931.21 g/mol. Its IUPAC name is bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine.

Molecular Properties

Compound Namebis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine
PubChem CID167602523
Molecular FormulaC181H388F6N18
Molecular Weight2931.21 g/mol
Exact Mass2929.08
IUPAC Namebis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine
SMILESCC.CC.CC.CC.CC.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C)CN1C(C)C.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C)CCN1C(C)C.CF.CF
InChIInChI=1S/2C11H24N2.7C11H23N.2C10H19F2N.5C10H21N.5C2H6.2CH3F/c1-9(2)11-8-12(5)6-7-13(11)10(3)4;1-9(2)11-6-7-12(5)8-13(11)10(3)4;3*1-9(2)11-6-5-7-12(8-11)10(3)4;4*1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-7(2)9-5-13(8(3)4)6-10(9,11)12;5*1-8(2)10-5-6-11(7-10)9(3)4;7*1-2/h2*9-11H,6-8H2,1-5H3;7*9-11H,5-8H2,1-4H3;2*7-9H,5-6H2,1-4H3;5*8-10H,5-7H2,1-4H3;5*1-2H3;2*1H3
InChIKeyJXWHTLCBPVTTFL-UHFFFAOYSA-N
XLogP46.99
TPSA58.32 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms205
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002931.21
LogP ≤ 546.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine with MolForge

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Related Compounds

Bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);hexakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 164985381
3,3-Difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);4-(2-methylpropyl)-1-(1-propan-2-ylazetidin-3-yl)piperidine;bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
CID 165012816
Bis(3,3-difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
CID 165024952
Bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);bis(1,4-di(propan-2-yl)piperazine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 167581014
3,3-Difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine;bis(3,3-difluoro-4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3,3-difluoro-4-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine);bis(4-[3-(2-methylpropyl)pyrrolidin-1-yl]-1-propan-2-ylpiperidine)
CID 167609710
Bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)piperidine);tetrakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;bis(1-methyl-2,4-di(propan-2-yl)piperazine);bis(4-methyl-1,2-di(propan-2-yl)piperazine)
CID 168417152
1,8-Dimethyl-1,8-diazaspiro[4.5]decane;bis(1,9-dimethyl-1,9-diazaspiro[4.5]decane);bis(1,10-dimethyl-1,10-diazaspiro[4.5]decane);bis(2,6-dimethyl-2,6-diazaspiro[4.5]decane);bis(2,9-dimethyl-2,9-diazaspiro[4.5]decane);ethane
CID 158518567
1,8-Dimethyl-1,8-diazaspiro[4.5]decane;bis(1,9-dimethyl-1,9-diazaspiro[4.5]decane);bis(1,10-dimethyl-1,10-diazaspiro[4.5]decane);bis(2,6-dimethyl-2,6-diazaspiro[4.5]decane);bis(2,8-dimethyl-2,8-diazaspiro[4.5]decane);bis(2,9-dimethyl-2,9-diazaspiro[4.5]decane);ethane
CID 159373857
1,2-Ditert-butyldiazinane;1,3-ditert-butyl-1,3-diazinane;1,3-ditert-butylimidazolidine;1,4-ditert-butylpiperazine;1,2-ditert-butylpiperidine;1,3-ditert-butylpiperidine;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrazolidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine
CID 159600120
1,6-di(propan-2-yl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine;2,5-di(propan-2-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;2-methyl-1,4-di(propan-2-yl)piperazine;3-(2-methylpropyl)-1-propan-2-ylpiperidine;2-(2-methylpropyl)-1-propan-2-ylpyrrolidine;3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 159641961
3,3-dimethyl-1-propan-2-ylpiperidine;4,4-dimethyl-1-propan-2-ylpiperidine;(2R)-2-ethyl-1-propan-2-ylpiperidine;(3R)-3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;(2S)-2-(1-fluoroethyl)-1-propan-2-ylpiperidine;(3R)-3-(1-fluoroethyl)-1-propan-2-ylpiperidine;3-fluoro-3-methyl-1-propan-2-ylpiperidine;4-fluoro-4-methyl-1-propan-2-ylpiperidine;(2R)-2-fluoro-1-propan-2-ylpiperidine;(2R)-2-methyl-1-propan-2-ylpiperidine;bis((3R)-3-methyl-1-propan-2-ylpiperidine);bis((3S)-3-methyl-1-propan-2-ylpiperidine);bis(4-methyl-1-propan-2-ylpiperidine);tris((2R)-2-methyl-1-propan-2-ylpyrrolidine);(3S)-3-methyl-1-propan-2-ylpyrrolidine;tris((3R)-3-methyl-1-propan-2-ylpyrrolidine);1-propan-2-ylpiperidine
CID 160553978
2-Ethyl-1-propan-2-ylpiperidine;3-ethyl-1-propan-2-ylpiperidine;4-ethyl-1-propan-2-ylpiperidine;2-ethyl-1-propan-2-ylpyrrolidine;methane;2-(piperidin-1-ylmethyl)-1-propan-2-ylpiperidine;3-(piperidin-1-ylmethyl)-1-propan-2-ylpiperidine;4-(piperidin-1-ylmethyl)-1-propan-2-ylpiperidine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)piperidine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)piperidine;1-propan-2-yl-4-(pyrrolidin-1-ylmethyl)piperidine;1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 160839987

Frequently Asked Questions

What is the IUPAC name of bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine?
The IUPAC name of bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine (CID 167602523) is bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine.
What is the SMILES notation for bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine?
The canonical SMILES for bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine is CC.CC.CC.CC.CC.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCCN1C(C)C.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C)CN1C(C)C.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C(C)C)CC1(F)F.CC(C)C1CN(C)CCN1C(C)C.CF.CF.
What is the InChIKey of bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine?
The InChIKey is JXWHTLCBPVTTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H24N2.7C11H23N.2C10H19F2N.5C10H21N.5C2H6.2CH3F/c1-9(2)11-8-12(5)6-7-13(11)10(3)4;1-9(2)11-6-7-12(5)8-13(11)10(3)4;3*1-9(2)11-6-5-7-12(8-11)10(3)4;4*1-9(2)11-7-5-6-8-12(11)10(3)4;2*1-7(2)9-5-13(8(3)4)6-10(9,11)12;5*1-8(2)10-5-6-11(7-10)9(3)4;7*1-2/h2*9-11H,6-8H2,1-5H3;7*9-11H,5-8H2,1-4H3;2*7-9H,5-6H2,1-4H3;5*8-10H,5-7H2,1-4H3;5*1-2H3;2*1H3.
What are the key properties of bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine?
bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine has a molecular weight of 2931.21 g/mol, XLogP of 46.99, 32 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,3-difluoro-1,4-di(propan-2-yl)pyrrolidine);tetrakis(1,2-di(propan-2-yl)piperidine);tris(1,3-di(propan-2-yl)piperidine);pentakis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;1-methyl-3,4-di(propan-2-yl)-1,3-diazinane;4-methyl-1,2-di(propan-2-yl)piperazine is sourced from PubChem (CID 167602523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).