1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane

C65H139N7 — CID 159151967

IUPAC1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane
SMILESC.CC(C)C1CCC(C(C)C)NC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CNCC(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/4C11H23N.C10H22N2.C10H21N.CH4/c1-8(2)10-5-11(9(3)4)7-12-6-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;/h8-12H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;1H4
InChIKeyKJKJJYKOUMJSRM-UHFFFAOYSA-N
MW1018.88 g/mol
LogP15.15
Rot. Bonds12

About 1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane

1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane (PubChem CID 159151967) has the molecular formula C65H139N7 and a molecular weight of 1018.88 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane.

Molecular Properties

Compound Name1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane
PubChem CID159151967
Molecular FormulaC65H139N7
Molecular Weight1018.88 g/mol
Exact Mass1018.11
IUPAC Name1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane
SMILESC.CC(C)C1CCC(C(C)C)NC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CNCC(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1
InChIInChI=1S/4C11H23N.C10H22N2.C10H21N.CH4/c1-8(2)10-5-11(9(3)4)7-12-6-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;/h8-12H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;1H4
InChIKeyKJKJJYKOUMJSRM-UHFFFAOYSA-N
XLogP15.15
TPSA40.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001018.88
LogP ≤ 515.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane with MolForge

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Related Compounds

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CID 20574174
N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 21997325
34,35,36,37,38-Pentazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriacontane
CID 71156380
N'-[2-(6-aminohexylamino)ethyl]-N,N,1,1-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,6-diamine
CID 88787024
3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine
CID 91072495
2,2,3,4-Tetrakis(1-ethylpiperidin-4-yl)-3-[1-(2-methylpropyl)piperidin-4-yl]-5-piperidin-4-yl-5-(2-piperidin-1-ylethyl)-1-propan-2-ylpiperidine
CID 91801630
4-[3,5-Bis[2,6-di(piperidin-2-yl)piperidin-4-yl]cyclohexyl]-2,6-di(piperidin-2-yl)piperidine
CID 123884106
8,8,14,14-Tetramethyl-1,4,11,18-tetrazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosane
CID 123934434
4-[2-(1,9-Diazaspiro[4.5]decan-9-yl)propyl]-8-ethyl-1,8-diazaspiro[5.5]undecane
CID 129237088
2-(2-Azabicyclo[2.2.1]heptan-3-yl)-5-(2-azabicyclo[2.2.2]octan-6-yl)-1-azabicyclo[2.2.2]octane
CID 134350487
4-[2-(1,9-Diazaspiro[4.5]decan-9-yl)propyl]-8-propan-2-yl-1,8-diazaspiro[5.5]undecane
CID 134482133
3,3,3-Tris(1-piperidin-4-ylpiperidin-3-yl)propan-1-amine;hydrochloride
CID 142779687

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane?
The IUPAC name of 1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane (CID 159151967) is 1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane.
What is the SMILES notation for 1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane?
The canonical SMILES for 1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane is C.CC(C)C1CCC(C(C)C)NC1.CC(C)C1CCCN(C(C)C)C1.CC(C)C1CCN(C(C)C)C1.CC(C)C1CCN(C(C)C)CC1.CC(C)C1CNCC(C(C)C)C1.CC(C)N1CCN(C(C)C)CC1.
What is the InChIKey of 1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane?
The InChIKey is KJKJJYKOUMJSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H23N.C10H22N2.C10H21N.CH4/c1-8(2)10-5-11(9(3)4)7-12-6-10;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(9(3)4)12-7-10;1-9(2)11-6-5-7-12(8-11)10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;1-8(2)10-5-6-11(7-10)9(3)4;/h8-12H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;8-12H,5-7H2,1-4H3;9-11H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;1H4.
What are the key properties of 1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane?
1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane has a molecular weight of 1018.88 g/mol, XLogP of 15.15, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)piperazine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;2,5-di(propan-2-yl)piperidine;3,5-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;methane is sourced from PubChem (CID 159151967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).