N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine

C17H28N4 — CID 62573579

IUPACN-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
SMILESc1ccc(N2CCN(CCNCC3CCCC3)CC2)nc1
InChIInChI=1S/C17H28N4/c1-2-6-16(5-1)15-18-9-10-20-11-13-21(14-12-20)17-7-3-4-8-19-17/h3-4,7-8,16,18H,1-2,5-6,9-15H2
InChIKeyPGPQEJHOFREVMZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.98
Rot. Bonds6

About N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine

N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine (PubChem CID 62573579) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
PubChem CID62573579
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC NameN-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
SMILESc1ccc(N2CCN(CCNCC3CCCC3)CC2)nc1
InChIInChI=1S/C17H28N4/c1-2-6-16(5-1)15-18-9-10-20-11-13-21(14-12-20)17-7-3-4-8-19-17/h3-4,7-8,16,18H,1-2,5-6,9-15H2
InChIKeyPGPQEJHOFREVMZ-UHFFFAOYSA-N
XLogP1.98
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
CID 55024348
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 62569653
N-(cyclohexylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 4030737
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-[2-(chloromethyl)prop-2-enyl]-4-pyridin-2-ylpiperazine
CID 103067602
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine (CID 62573579) is N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine is c1ccc(N2CCN(CCNCC3CCCC3)CC2)nc1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is PGPQEJHOFREVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-2-6-16(5-1)15-18-9-10-20-11-13-21(14-12-20)17-7-3-4-8-19-17/h3-4,7-8,16,18H,1-2,5-6,9-15H2.
What are the key properties of N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine?
N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 288.44 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 62573579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).