cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine

C17H25ClN2 — CID 23587488

IUPACcis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@@H]1N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2/c18-15-6-4-13(5-7-15)12-14-8-10-20(11-9-14)17-3-1-2-16(17)19/h4-7,14,16-17H,1-3,8-12,19H2/t16-,17+/m1/s1
InChIKeyPYNGHJRZUVXEJW-SJORKVTESA-N
MW292.85 g/mol
LogP3.47
Rot. Bonds3

About cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine

cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine (PubChem CID 23587488) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine
PubChem CID23587488
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Namecis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine
SMILESN[C@@H]1CCC[C@@H]1N1CCC(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN2/c18-15-6-4-13(5-7-15)12-14-8-10-20(11-9-14)17-3-1-2-16(17)19/h4-7,14,16-17H,1-3,8-12,19H2/t16-,17+/m1/s1
InChIKeyPYNGHJRZUVXEJW-SJORKVTESA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine?
The IUPAC name of cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine (CID 23587488) is cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine?
The canonical SMILES for cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine is N[C@@H]1CCC[C@@H]1N1CCC(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine?
The InChIKey is PYNGHJRZUVXEJW-SJORKVTESA-N. The full InChI is InChI=1S/C17H25ClN2/c18-15-6-4-13(5-7-15)12-14-8-10-20(11-9-14)17-3-1-2-16(17)19/h4-7,14,16-17H,1-3,8-12,19H2/t16-,17+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine?
cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine has a molecular weight of 292.85 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine is sourced from PubChem (CID 23587488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).