1-(5-chloropentyl)-4-pyridin-2-ylpiperazine

C14H22ClN3 — CID 61288750

IUPAC1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
SMILESClCCCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H22ClN3/c15-7-3-1-5-9-17-10-12-18(13-11-17)14-6-2-4-8-16-14/h2,4,6,8H,1,3,5,7,9-13H2
InChIKeyOIYPOUYTGQOSRZ-UHFFFAOYSA-N
MW267.80 g/mol
LogP2.61
Rot. Bonds6

About 1-(5-chloropentyl)-4-pyridin-2-ylpiperazine

1-(5-chloropentyl)-4-pyridin-2-ylpiperazine (PubChem CID 61288750) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-(5-chloropentyl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
PubChem CID61288750
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
SMILESClCCCCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H22ClN3/c15-7-3-1-5-9-17-10-12-18(13-11-17)14-6-2-4-8-16-14/h2,4,6,8H,1,3,5,7,9-13H2
InChIKeyOIYPOUYTGQOSRZ-UHFFFAOYSA-N
XLogP2.61
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
1-(2-hydroxyphenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)hexan-1-one
CID 11131952
4,10-bis[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
CID 10652152
4-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]quinoline
CID 19909649
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 62569653
2,2-dimethyl-5-(4-pyridin-2-ylpiperazin-1-yl)pentanenitrile
CID 65257131

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloropentyl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(5-chloropentyl)-4-pyridin-2-ylpiperazine (CID 61288750) is 1-(5-chloropentyl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(5-chloropentyl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(5-chloropentyl)-4-pyridin-2-ylpiperazine is ClCCCCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(5-chloropentyl)-4-pyridin-2-ylpiperazine?
The InChIKey is OIYPOUYTGQOSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c15-7-3-1-5-9-17-10-12-18(13-11-17)14-6-2-4-8-16-14/h2,4,6,8H,1,3,5,7,9-13H2.
What are the key properties of 1-(5-chloropentyl)-4-pyridin-2-ylpiperazine?
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine has a molecular weight of 267.80 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloropentyl)-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 61288750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).