1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine

C16H31N3 — CID 120968406

IUPAC1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine
SMILESCC1CCCCC1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C16H31N3/c1-14-4-2-3-5-15(14)12-18-9-6-16(13-18)19-10-7-17-8-11-19/h14-17H,2-13H2,1H3
InChIKeyXQCZEVWTCZJVQJ-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.79
Rot. Bonds3

About 1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine

1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine (PubChem CID 120968406) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine
PubChem CID120968406
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine
SMILESCC1CCCCC1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C16H31N3/c1-14-4-2-3-5-15(14)12-18-9-6-16(13-18)19-10-7-17-8-11-19/h14-17H,2-13H2,1H3
InChIKeyXQCZEVWTCZJVQJ-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2-methylcyclopropyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967543
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968111
1-[1-(azetidin-3-ylmethyl)pyrrolidin-3-yl]piperazine
CID 170022732
6-methyl-1-[(2-methylcyclopentyl)methyl]-1,4-diazepane
CID 107420452
1-[1-(2,2-dimethoxyethyl)pyrrolidin-3-yl]piperazine
CID 112739446
2-[3-(1,4-diazepan-1-yl)pyrrolidin-1-yl]-N,N-dimethylethanamine
CID 117004539
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine
CID 63169674
3-cyclopropyl-1-[(2-methylcyclohexyl)methyl]-1,4-diazepane
CID 64944041
N,N-dimethyl-1-[(2-methylcyclohexyl)methyl]piperidin-4-amine
CID 163161369
1-cyclopentylpiperazine;ethane
CID 143559542
1-[(2-methylcyclohexyl)methyl]azetidin-3-ol
CID 131175766

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine (CID 120968406) is 1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine is CC1CCCCC1CN1CCC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine?
The InChIKey is XQCZEVWTCZJVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14-4-2-3-5-15(14)12-18-9-6-16(13-18)19-10-7-17-8-11-19/h14-17H,2-13H2,1H3.
What are the key properties of 1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine?
1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine has a molecular weight of 265.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylcyclohexyl)methyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 120968406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).