1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine

C39H79N7 — CID 167613426

IUPAC1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESCC(C)N1CCC(CN2CCCC2)C1.CC(C)N1CCN(C2CCN(C)CC2)CC1.CC(C)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C14H28N2.C13H27N3.C12H24N2/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;1-12(2)15-8-10-16(11-9-15)13-4-6-14(3)7-5-13;1-11(2)14-8-5-12(10-14)9-13-6-3-4-7-13/h13-14H,3-12H2,1-2H3;12-13H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3
InChIKeyLJRABHZZZUEMKB-UHFFFAOYSA-N
MW646.11 g/mol
LogP5.51
Rot. Bonds8

About 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine

1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine (PubChem CID 167613426) has the molecular formula C39H79N7 and a molecular weight of 646.11 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
PubChem CID167613426
Molecular FormulaC39H79N7
Molecular Weight646.11 g/mol
Exact Mass645.64
IUPAC Name1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
SMILESCC(C)N1CCC(CN2CCCC2)C1.CC(C)N1CCN(C2CCN(C)CC2)CC1.CC(C)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C14H28N2.C13H27N3.C12H24N2/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;1-12(2)15-8-10-16(11-9-15)13-4-6-14(3)7-5-13;1-11(2)14-8-5-12(10-14)9-13-6-3-4-7-13/h13-14H,3-12H2,1-2H3;12-13H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3
InChIKeyLJRABHZZZUEMKB-UHFFFAOYSA-N
XLogP5.51
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.11
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine with MolForge

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Related Compounds

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CID 143143747
6-(4-Methylpiperidin-1-yl)-3-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-3-yl]ethyl]-3-azabicyclo[3.1.0]hexane
CID 144962420
(1R,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155184387
2-Propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155184442
propane;(1S,4R)-2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155702569
Propane;2-propan-2-yl-5-[3-(1-propan-2-ylpiperidin-4-yl)propyl]-2,5-diazabicyclo[2.2.1]heptane
CID 155702617
9-Methyl-3-[2-methyl-3-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]piperidin-4-yl]propyl]-3,9-diazaspiro[5.5]undecane
CID 156188279
1,3-Bis(2-methylpropyl)cyclopentane;2,5-bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine)
CID 157108199
2,5-Bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine);1,3-bis(2-methylpropyl)pyrrolidine
CID 157403411
1,2-Dimethylpiperidine;1,3-dimethylpiperidine;1,4-dimethylpiperidine;1,2-dimethylpyrrolidine;1,3-dimethylpyrrolidine;methane
CID 157442108
1-(3-Methylbutyl)-3-propan-2-ylimidazolidine;1-(3-methylbutyl)-4-propan-2-ylpiperazine;1-(3-methylbutyl)-4-propan-2-ylpiperidine;4-(3-methylbutyl)-1-propan-2-ylpiperidine;1-(3-methylbutyl)-3-propan-2-ylpyrrolidine
CID 157492291
1-(5,5-Dimethylhexyl)pyrrolidine;2-(4,4-dimethylpentyl)-1-methylpyrrolidine;1-(4,4-dimethylpentyl)piperidine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)-1-methylpiperidine;2,2,8,8-tetramethylnonane
CID 157686078

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine?
The IUPAC name of 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine (CID 167613426) is 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine is CC(C)N1CCC(CN2CCCC2)C1.CC(C)N1CCN(C2CCN(C)CC2)CC1.CC(C)N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine?
The InChIKey is LJRABHZZZUEMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.C13H27N3.C12H24N2/c1-13(2)16-10-8-15(9-11-16)12-14-6-4-3-5-7-14;1-12(2)15-8-10-16(11-9-15)13-4-6-14(3)7-5-13;1-11(2)14-8-5-12(10-14)9-13-6-3-4-7-13/h13-14H,3-12H2,1-2H3;12-13H,4-11H2,1-3H3;11-12H,3-10H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine?
1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine has a molecular weight of 646.11 g/mol, XLogP of 5.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-propan-2-ylpiperazine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-propan-2-yl-3-(pyrrolidin-1-ylmethyl)pyrrolidine is sourced from PubChem (CID 167613426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).