N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine

C18H29N3 — CID 62369129

IUPACN-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H29N3/c1-2-19-15-16-7-3-6-10-18(16)21-13-11-20(12-14-21)17-8-4-5-9-17/h3,6-7,10,17,19H,2,4-5,8-9,11-15H2,1H3
InChIKeyAISDIXACHLWEKR-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.86
Rot. Bonds5

About N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine

N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine (PubChem CID 62369129) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine
PubChem CID62369129
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccccc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H29N3/c1-2-19-15-16-7-3-6-10-18(16)21-13-11-20(12-14-21)17-8-4-5-9-17/h3,6-7,10,17,19H,2,4-5,8-9,11-15H2,1H3
InChIKeyAISDIXACHLWEKR-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine with MolForge

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Related Compounds

[2-(4-cyclopentylpiperazin-1-yl)phenyl]methanol
CID 62369445
1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]-N-methylmethanamine
CID 79935349
N-[[2-(4,4-dimethylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 62932460
N-[[4-chloro-2-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114849168
2-[4-[2-(ethylaminomethyl)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62890361
1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 115995985
(1R)-1-[2-(4-cyclopentylpiperazin-1-yl)phenyl]propan-1-ol
CID 103960071
N-[[2-chloro-6-(4-cyclopropylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 61445797
N-[[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-fluorophenyl]methyl]ethanamine
CID 79916053
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]-2-methoxyethanamine
CID 79929020
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
N-[2-(4-cyclopentylpiperazin-1-yl)phenyl]hydroxylamine
CID 156796877

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine (CID 62369129) is N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine is CCNCc1ccccc1N1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine?
The InChIKey is AISDIXACHLWEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-2-19-15-16-7-3-6-10-18(16)21-13-11-20(12-14-21)17-8-4-5-9-17/h3,6-7,10,17,19H,2,4-5,8-9,11-15H2,1H3.
What are the key properties of N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine?
N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-cyclopentylpiperazin-1-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62369129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).