N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine

C17H30N4 — CID 62425695

IUPACN-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine
SMILESCCCNCCCC(C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H30N4/c1-3-9-18-10-6-7-16(2)20-12-14-21(15-13-20)17-8-4-5-11-19-17/h4-5,8,11,16,18H,3,6-7,9-10,12-15H2,1-2H3
InChIKeyUDDKNRNRHIAFBT-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.37
Rot. Bonds8

About N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine

N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine (PubChem CID 62425695) has the molecular formula C17H30N4 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine
PubChem CID62425695
Molecular FormulaC17H30N4
Molecular Weight290.45 g/mol
Exact Mass290.25
IUPAC NameN-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine
SMILESCCCNCCCC(C)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H30N4/c1-3-9-18-10-6-7-16(2)20-12-14-21(15-13-20)17-8-4-5-11-19-17/h4-5,8,11,16,18H,3,6-7,9-10,12-15H2,1-2H3
InChIKeyUDDKNRNRHIAFBT-UHFFFAOYSA-N
XLogP2.37
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.37
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)propyl]hexan-1-amine
CID 13345125
N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425155
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]propan-2-amine
CID 62423507
N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]cyclohexanamine
CID 13345115
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
3-(4-pyridin-2-ylpiperazin-1-yl)butan-2-ol
CID 78976730
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
CID 55024348
N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 62569653
2-(propylamino)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792358
N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
CID 62424032
1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-amine
CID 43650423

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine (CID 62425695) is N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine is CCCNCCCC(C)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine?
The InChIKey is UDDKNRNRHIAFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-3-9-18-10-6-7-16(2)20-12-14-21(15-13-20)17-8-4-5-11-19-17/h4-5,8,11,16,18H,3,6-7,9-10,12-15H2,1-2H3.
What are the key properties of N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine?
N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 62425695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).