N-chloropiperidin-2-amine

C5H11ClN2 — CID 174559838

IUPACN-chloropiperidin-2-amine
SMILESClNC1CCCCN1
InChIInChI=1S/C5H11ClN2/c6-8-5-3-1-2-4-7-5/h5,7-8H,1-4H2
InChIKeyAVFLDEKRQFFZJP-UHFFFAOYSA-N
MW134.61 g/mol
LogP0.83
Rot. Bonds1

About N-chloropiperidin-2-amine

N-chloropiperidin-2-amine (PubChem CID 174559838) has the molecular formula C5H11ClN2 and a molecular weight of 134.61 g/mol. Its IUPAC name is N-chloropiperidin-2-amine.

Molecular Properties

Compound NameN-chloropiperidin-2-amine
PubChem CID174559838
Molecular FormulaC5H11ClN2
Molecular Weight134.61 g/mol
Exact Mass134.06
IUPAC NameN-chloropiperidin-2-amine
SMILESClNC1CCCCN1
InChIInChI=1S/C5H11ClN2/c6-8-5-3-1-2-4-7-5/h5,7-8H,1-4H2
InChIKeyAVFLDEKRQFFZJP-UHFFFAOYSA-N
XLogP0.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(azacyclotridec-2-yl)formamide
CID 174886343
N-(cyclohexylsulfamoyl)piperidin-2-amine
CID 117126119
N-piperidin-2-ylcyclopropanecarboxamide
CID 91561080
N-cyclohexylpyrrolidin-2-amine;dihydrochloride
CID 67060759
N-phenylpiperidin-2-amine
CID 67326349
N-pyrrolidin-2-ylmethanesulfonamide
CID 173138820
N-cyclobutylpyrrolidin-2-amine
CID 67060777
(2R)-N-methoxypyrrolidin-2-amine
CID 161349886
N-piperidin-2-ylmorpholine-4-sulfonamide
CID 117126253
N-[(2S)-pyrrolidin-2-yl]formamide
CID 91588342
2-methylpiperidine
CID 7974
2-pyrrolidin-2-ylpiperidine
CID 14810994

Frequently Asked Questions

What is the IUPAC name of N-chloropiperidin-2-amine?
The IUPAC name of N-chloropiperidin-2-amine (CID 174559838) is N-chloropiperidin-2-amine.
What is the SMILES notation for N-chloropiperidin-2-amine?
The canonical SMILES for N-chloropiperidin-2-amine is ClNC1CCCCN1.
What is the InChIKey of N-chloropiperidin-2-amine?
The InChIKey is AVFLDEKRQFFZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClN2/c6-8-5-3-1-2-4-7-5/h5,7-8H,1-4H2.
What are the key properties of N-chloropiperidin-2-amine?
N-chloropiperidin-2-amine has a molecular weight of 134.61 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloropiperidin-2-amine is sourced from PubChem (CID 174559838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).