(4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine

C13H18ClNO — CID 126669937

IUPAC(4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine
SMILESCO[C@H]1CCNC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClNO/c1-16-13-6-7-15-12(9-13)8-10-2-4-11(14)5-3-10/h2-5,12-13,15H,6-9H2,1H3/t12?,13-/m0/s1
InChIKeyFJALFRQDSBERHS-ABLWVSNPSA-N
MW239.75 g/mol
LogP2.65
Rot. Bonds3

About (4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine

(4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine (PubChem CID 126669937) has the molecular formula C13H18ClNO and a molecular weight of 239.75 g/mol. Its IUPAC name is (4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name(4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine
PubChem CID126669937
Molecular FormulaC13H18ClNO
Molecular Weight239.75 g/mol
Exact Mass239.11
IUPAC Name(4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine
SMILESCO[C@H]1CCNC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClNO/c1-16-13-6-7-15-12(9-13)8-10-2-4-11(14)5-3-10/h2-5,12-13,15H,6-9H2,1H3/t12?,13-/m0/s1
InChIKeyFJALFRQDSBERHS-ABLWVSNPSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine?
The IUPAC name of (4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine (CID 126669937) is (4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine.
What is the SMILES notation for (4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine?
The canonical SMILES for (4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine is CO[C@H]1CCNC(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine?
The InChIKey is FJALFRQDSBERHS-ABLWVSNPSA-N. The full InChI is InChI=1S/C13H18ClNO/c1-16-13-6-7-15-12(9-13)8-10-2-4-11(14)5-3-10/h2-5,12-13,15H,6-9H2,1H3/t12?,13-/m0/s1.
What are the key properties of (4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine?
(4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine has a molecular weight of 239.75 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(4-chlorophenyl)methyl]-4-methoxypiperidine is sourced from PubChem (CID 126669937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).