1-chloropiperidine

C5H10ClN — CID 16540

IUPAC1-chloropiperidine
SMILESClN1CCCCC1
InChIInChI=1S/C5H10ClN/c6-7-4-2-1-3-5-7/h1-5H2
InChIKeyCIQJWKNJDQKPPO-UHFFFAOYSA-N
MW119.60 g/mol
LogP1.63
Rot. Bonds

About 1-chloropiperidine

1-chloropiperidine (PubChem CID 16540) has the molecular formula C5H10ClN and a molecular weight of 119.60 g/mol. Its IUPAC name is 1-chloropiperidine.

Molecular Properties

Compound Name1-chloropiperidine
PubChem CID16540
Molecular FormulaC5H10ClN
Molecular Weight119.60 g/mol
Exact Mass119.05
IUPAC Name1-chloropiperidine
SMILESClN1CCCCC1
InChIInChI=1S/C5H10ClN/c6-7-4-2-1-3-5-7/h1-5H2
InChIKeyCIQJWKNJDQKPPO-UHFFFAOYSA-N
XLogP1.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.60
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloroazonane
CID 19423003
4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;manganese
CID 158152491
4,11-dichloro-1,4,8,11-tetrazabicyclo[6.6.2]hexadecane;bis(4,10-dichloro-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane);bis(iron(2+));manganese(2+)
CID 158258576
cyclooctane;1,7-diazabicyclo[5.5.3]pentadecane;methane
CID 162186921
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
1-(4-piperidin-1-ylsulfonylpiperazin-1-yl)sulfonylazepane
CID 2238490
1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine
CID 140998804
[amino(piperidin-1-yl)methylidene]tungsten
CID 59710014
1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 58615983
methane;tris(1-methylpiperidine)
CID 162076357
CID 68772535
CID 68772535

Frequently Asked Questions

What is the IUPAC name of 1-chloropiperidine?
The IUPAC name of 1-chloropiperidine (CID 16540) is 1-chloropiperidine.
What is the SMILES notation for 1-chloropiperidine?
The canonical SMILES for 1-chloropiperidine is ClN1CCCCC1.
What is the InChIKey of 1-chloropiperidine?
The InChIKey is CIQJWKNJDQKPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClN/c6-7-4-2-1-3-5-7/h1-5H2.
What are the key properties of 1-chloropiperidine?
1-chloropiperidine has a molecular weight of 119.60 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropiperidine is sourced from PubChem (CID 16540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).