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

C221H482F3N23 — CID 164952074

IUPAC3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.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)C1CCCN1C(C)C.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN1C(C)C.CC(C)C1CCN1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCN(C(C)C)CC1.CF
InChIInChI=1S/C11H21F2N.2C11H24N2.6C11H23N.C10H22N2.4C10H21N.6C9H19N.8C2H6.CH3F.CH4/c1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;1-9(2)11-8-13(10(3)4)7-6-12(11)5;1-9(2)11-8-12(5)6-7-13(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)10-6-5-7-11(10)9(3)4;4*1-7(2)9-5-10(6-9)8(3)4;2*1-7(2)9-5-6-10(9)8(3)4;9*1-2;/h8-10H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3;6*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;4*8-10H,5-7H2,1-4H3;6*7-9H,5-6H2,1-4H3;8*1-2H3;1H3;1H4
InChIKeyAQZNALMPQPWYLU-UHFFFAOYSA-N
MW3519.44 g/mol
LogP56.01
Rot. Bonds40

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

3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine (PubChem CID 164952074) has the molecular formula C221H482F3N23 and a molecular weight of 3519.44 g/mol. Its IUPAC name is 3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine.

Molecular Properties

Compound Name3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
PubChem CID164952074
Molecular FormulaC221H482F3N23
Molecular Weight3519.44 g/mol
Exact Mass3516.84
IUPAC Name3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.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)C1CCCN1C(C)C.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN1C(C)C.CC(C)C1CCN1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCN(C(C)C)CC1.CF
InChIInChI=1S/C11H21F2N.2C11H24N2.6C11H23N.C10H22N2.4C10H21N.6C9H19N.8C2H6.CH3F.CH4/c1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;1-9(2)11-8-13(10(3)4)7-6-12(11)5;1-9(2)11-8-12(5)6-7-13(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)10-6-5-7-11(10)9(3)4;4*1-7(2)9-5-10(6-9)8(3)4;2*1-7(2)9-5-6-10(9)8(3)4;9*1-2;/h8-10H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3;6*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;4*8-10H,5-7H2,1-4H3;6*7-9H,5-6H2,1-4H3;8*1-2H3;1H3;1H4
InChIKeyAQZNALMPQPWYLU-UHFFFAOYSA-N
XLogP56.01
TPSA74.52 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds40
Heavy Atoms247
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003519.44
LogP ≤ 556.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine?
The IUPAC name of 3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine (CID 164952074) is 3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine.
What is the SMILES notation for 3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine?
The canonical SMILES for 3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine is C.CC.CC.CC.CC.CC.CC.CC.CC.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)C1CCCN1C(C)C.CC(C)C1CCCN1C(C)C.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CCN(C(C)C)CC1(F)F.CC(C)C1CCN1C(C)C.CC(C)C1CCN1C(C)C.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)C1.CC(C)C1CN(C(C)C)CCN1C.CC(C)C1CN(C)CCN1C(C)C.CC(C)N1CCN(C(C)C)CC1.CF.
What is the InChIKey of 3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine?
The InChIKey is AQZNALMPQPWYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N.2C11H24N2.6C11H23N.C10H22N2.4C10H21N.6C9H19N.8C2H6.CH3F.CH4/c1-8(2)10-5-6-14(9(3)4)7-11(10,12)13;1-9(2)11-8-13(10(3)4)7-6-12(11)5;1-9(2)11-8-12(5)6-7-13(11)10(3)4;2*1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-9(2)11-6-5-7-12(8-11)10(3)4;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)10-6-5-7-11(10)9(3)4;4*1-7(2)9-5-10(6-9)8(3)4;2*1-7(2)9-5-6-10(9)8(3)4;9*1-2;/h8-10H,5-7H2,1-4H3;2*9-11H,6-8H2,1-5H3;6*9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;4*8-10H,5-7H2,1-4H3;6*7-9H,5-6H2,1-4H3;8*1-2H3;1H3;1H4.
What are the key properties of 3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine?
3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine has a molecular weight of 3519.44 g/mol, XLogP of 56.01, 40 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,4-di(propan-2-yl)piperidine;bis(1,2-di(propan-2-yl)azetidine);tetrakis(1,3-di(propan-2-yl)azetidine);1,4-di(propan-2-yl)piperazine;bis(1,2-di(propan-2-yl)piperidine);bis(1,3-di(propan-2-yl)piperidine);bis(1,4-di(propan-2-yl)piperidine);bis(1,2-di(propan-2-yl)pyrrolidine);bis(1,3-di(propan-2-yl)pyrrolidine);ethane;fluoromethane;methane;1-methyl-2,4-di(propan-2-yl)piperazine;4-methyl-1,2-di(propan-2-yl)piperazine is sourced from PubChem (CID 164952074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).