(3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine

C16H24ClN3 — CID 126435925

IUPAC(3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(C2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C16H24ClN3/c17-15-5-1-2-6-16(15)19-10-7-14(8-11-19)20-9-3-4-13(18)12-20/h1-2,5-6,13-14H,3-4,7-12,18H2/t13-/m0/s1
InChIKeyPCQMRZODOWZNMP-ZDUSSCGKSA-N
MW293.84 g/mol
LogP2.73
Rot. Bonds2

About (3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine

(3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine (PubChem CID 126435925) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is (3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine
PubChem CID126435925
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name(3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine
SMILESN[C@H]1CCCN(C2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C16H24ClN3/c17-15-5-1-2-6-16(15)19-10-7-14(8-11-19)20-9-3-4-13(18)12-20/h1-2,5-6,13-14H,3-4,7-12,18H2/t13-/m0/s1
InChIKeyPCQMRZODOWZNMP-ZDUSSCGKSA-N
XLogP2.73
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine?
The IUPAC name of (3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine (CID 126435925) is (3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine is N[C@H]1CCCN(C2CCN(c3ccccc3Cl)CC2)C1.
What is the InChIKey of (3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine?
The InChIKey is PCQMRZODOWZNMP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24ClN3/c17-15-5-1-2-6-16(15)19-10-7-14(8-11-19)20-9-3-4-13(18)12-20/h1-2,5-6,13-14H,3-4,7-12,18H2/t13-/m0/s1.
What are the key properties of (3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine?
(3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine has a molecular weight of 293.84 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(2-chlorophenyl)piperidin-4-yl]piperidin-3-amine is sourced from PubChem (CID 126435925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).