7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine

C16H28N4 — CID 28598378

IUPAC7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
SMILESNCCCCCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H28N4/c17-9-5-2-1-3-7-11-19-12-14-20(15-13-19)16-8-4-6-10-18-16/h4,6,8,10H,1-3,5,7,9,11-15,17H2
InChIKeyXVFXGSVYIOSKGW-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.11
Rot. Bonds8

About 7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine

7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine (PubChem CID 28598378) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine.

Molecular Properties

Compound Name7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
PubChem CID28598378
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
SMILESNCCCCCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H28N4/c17-9-5-2-1-3-7-11-19-12-14-20(15-13-19)16-8-4-6-10-18-16/h4,6,8,10H,1-3,5,7,9,11-15,17H2
InChIKeyXVFXGSVYIOSKGW-UHFFFAOYSA-N
XLogP2.11
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.11
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

3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
5-(4-pyridazin-3-yl-1,4-diazepan-1-yl)pentan-1-amine
CID 55079861
1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one
CID 11131952
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406

Frequently Asked Questions

What is the IUPAC name of 7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine?
The IUPAC name of 7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine (CID 28598378) is 7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine.
What is the SMILES notation for 7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine?
The canonical SMILES for 7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine is NCCCCCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine?
The InChIKey is XVFXGSVYIOSKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c17-9-5-2-1-3-7-11-19-12-14-20(15-13-19)16-8-4-6-10-18-16/h4,6,8,10H,1-3,5,7,9,11-15,17H2.
What are the key properties of 7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine?
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine is sourced from PubChem (CID 28598378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).