6-chloropiperidine-2,3-diamine

C5H12ClN3 — CID 66791814

IUPAC6-chloropiperidine-2,3-diamine
SMILESNC1CCC(Cl)NC1N
InChIInChI=1S/C5H12ClN3/c6-4-2-1-3(7)5(8)9-4/h3-5,9H,1-2,7-8H2
InChIKeyHXSDUQAZXJNMFQ-UHFFFAOYSA-N
MW149.62 g/mol
LogP-0.45
Rot. Bonds

About 6-chloropiperidine-2,3-diamine

6-chloropiperidine-2,3-diamine (PubChem CID 66791814) has the molecular formula C5H12ClN3 and a molecular weight of 149.62 g/mol. Its IUPAC name is 6-chloropiperidine-2,3-diamine.

Molecular Properties

Compound Name6-chloropiperidine-2,3-diamine
PubChem CID66791814
Molecular FormulaC5H12ClN3
Molecular Weight149.62 g/mol
Exact Mass149.07
IUPAC Name6-chloropiperidine-2,3-diamine
SMILESNC1CCC(Cl)NC1N
InChIInChI=1S/C5H12ClN3/c6-4-2-1-3(7)5(8)9-4/h3-5,9H,1-2,7-8H2
InChIKeyHXSDUQAZXJNMFQ-UHFFFAOYSA-N
XLogP-0.45
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-chlorocyclohexyl)-2-chlorocyclohexan-1-amine
CID 44557967
2-chloro-5-nitropyrrolidine
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3-aminopiperidine-2,6-diol
CID 141025624
5-chloropiperidin-2-amine
CID 13059289
2,6-dimethylpiperidin-3-amine;dihydrochloride
CID 174859895
CID 140720816
CID 140720816
6-bromo-2-methylpiperidin-3-amine
CID 176942943
2,4,6-trichloro-1,3-diazinane
CID 42608862
3-chlorocyclohexane-1,2-diamine
CID 159121822
2-chlorooxolan-3-amine
CID 142661454
(1,2,3-13C3)cyclopropanamine
CID 76972988
7-azabicyclo[2.2.1]heptan-2-amine
CID 18534976

Frequently Asked Questions

What is the IUPAC name of 6-chloropiperidine-2,3-diamine?
The IUPAC name of 6-chloropiperidine-2,3-diamine (CID 66791814) is 6-chloropiperidine-2,3-diamine.
What is the SMILES notation for 6-chloropiperidine-2,3-diamine?
The canonical SMILES for 6-chloropiperidine-2,3-diamine is NC1CCC(Cl)NC1N.
What is the InChIKey of 6-chloropiperidine-2,3-diamine?
The InChIKey is HXSDUQAZXJNMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12ClN3/c6-4-2-1-3(7)5(8)9-4/h3-5,9H,1-2,7-8H2.
What are the key properties of 6-chloropiperidine-2,3-diamine?
6-chloropiperidine-2,3-diamine has a molecular weight of 149.62 g/mol, XLogP of -0.45, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropiperidine-2,3-diamine is sourced from PubChem (CID 66791814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).