1-[(1S)-1-pyridin-3-ylpentyl]piperazine

C14H23N3 — CID 171308841

IUPAC1-[(1S)-1-pyridin-3-ylpentyl]piperazine
SMILESCCCC[C@@H](c1cccnc1)N1CCNCC1
InChIInChI=1S/C14H23N3/c1-2-3-6-14(13-5-4-7-16-12-13)17-10-8-15-9-11-17/h4-5,7,12,14-15H,2-3,6,8-11H2,1H3/t14-/m0/s1
InChIKeyXTVLMZRIDJRVJP-AWEZNQCLSA-N
MW233.36 g/mol
LogP2.22
Rot. Bonds5

About 1-[(1S)-1-pyridin-3-ylpentyl]piperazine

1-[(1S)-1-pyridin-3-ylpentyl]piperazine (PubChem CID 171308841) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[(1S)-1-pyridin-3-ylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-pyridin-3-ylpentyl]piperazine
PubChem CID171308841
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-[(1S)-1-pyridin-3-ylpentyl]piperazine
SMILESCCCC[C@@H](c1cccnc1)N1CCNCC1
InChIInChI=1S/C14H23N3/c1-2-3-6-14(13-5-4-7-16-12-13)17-10-8-15-9-11-17/h4-5,7,12,14-15H,2-3,6,8-11H2,1H3/t14-/m0/s1
InChIKeyXTVLMZRIDJRVJP-AWEZNQCLSA-N
XLogP2.22
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058
1-[(1S)-1-(5-bromo-3-pyridinyl)pentyl]piperazine;dihydrochloride
CID 171308612
1-[(1R)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine
CID 171287680
1-[(1R)-1-(5-bromo-3-pyridinyl)hexyl]piperazine
CID 171307316
1-[(1S)-2-cyclopropyl-1-pyridin-3-ylethyl]piperazine;dihydrochloride
CID 171275053
1-[(1R)-1-(3-methoxyphenyl)pentyl]piperazine;dihydrochloride
CID 171307435
1-[(1S)-1-(3-chlorophenyl)pentyl]piperazine;dihydrochloride
CID 171308680
1-[(1S)-1-(1H-pyrrol-2-yl)pentyl]piperazine
CID 171308857
1-(2-piperazin-1-yl-1-pyridin-3-ylethyl)azepane
CID 82201767
1-[(1S)-1-(6-bromo-3-pyridinyl)hexyl]piperazine;dihydrochloride
CID 171308984
1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171307865
1-[(1S)-1-(4-tert-butylphenyl)pentyl]piperazine;dihydrochloride
CID 171308868

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-pyridin-3-ylpentyl]piperazine?
The IUPAC name of 1-[(1S)-1-pyridin-3-ylpentyl]piperazine (CID 171308841) is 1-[(1S)-1-pyridin-3-ylpentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-pyridin-3-ylpentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-pyridin-3-ylpentyl]piperazine is CCCC[C@@H](c1cccnc1)N1CCNCC1.
What is the InChIKey of 1-[(1S)-1-pyridin-3-ylpentyl]piperazine?
The InChIKey is XTVLMZRIDJRVJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-3-6-14(13-5-4-7-16-12-13)17-10-8-15-9-11-17/h4-5,7,12,14-15H,2-3,6,8-11H2,1H3/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-pyridin-3-ylpentyl]piperazine?
1-[(1S)-1-pyridin-3-ylpentyl]piperazine has a molecular weight of 233.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-pyridin-3-ylpentyl]piperazine is sourced from PubChem (CID 171308841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).