(2S)-2-(2,4-dimethoxyphenyl)piperidine

C13H19NO2 — CID 7022848

IUPAC(2S)-2-(2,4-dimethoxyphenyl)piperidine
SMILESCOc1ccc([C@@H]2CCCCN2)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-15-10-6-7-11(13(9-10)16-2)12-5-3-4-8-14-12/h6-7,9,12,14H,3-5,8H2,1-2H3/t12-/m0/s1
InChIKeyUPLHYQRIQVCOJT-LBPRGKRZSA-N
MW221.30 g/mol
LogP2.52
Rot. Bonds3

About (2S)-2-(2,4-dimethoxyphenyl)piperidine

(2S)-2-(2,4-dimethoxyphenyl)piperidine (PubChem CID 7022848) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethoxyphenyl)piperidine.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethoxyphenyl)piperidine
PubChem CID7022848
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2S)-2-(2,4-dimethoxyphenyl)piperidine
SMILESCOc1ccc([C@@H]2CCCCN2)c(OC)c1
InChIInChI=1S/C13H19NO2/c1-15-10-6-7-11(13(9-10)16-2)12-5-3-4-8-14-12/h6-7,9,12,14H,3-5,8H2,1-2H3/t12-/m0/s1
InChIKeyUPLHYQRIQVCOJT-LBPRGKRZSA-N
XLogP2.52
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171195361
2-(2-bromo-4-methoxyphenyl)piperidine
CID 82625568
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
(2S)-2-(4-fluoro-2-methoxyphenyl)piperidine
CID 96773994
(2S)-2-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 171194833
(2R)-2-[2-methoxy-4-(trifluoromethoxy)phenyl]pyrrolidine
CID 171196183
4-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131513044
4-methoxy-2-[(2S)-piperidin-2-yl]phenol
CID 131531573
2-(2,4,5-trimethoxyphenyl)azepane
CID 62543409
2-(2-bromo-5-methoxyphenyl)azepane
CID 62543075
(2S)-2-[2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 171195272
2-[5-methoxy-2-(methoxymethyl)phenyl]piperidine
CID 117343126

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethoxyphenyl)piperidine?
The IUPAC name of (2S)-2-(2,4-dimethoxyphenyl)piperidine (CID 7022848) is (2S)-2-(2,4-dimethoxyphenyl)piperidine.
What is the SMILES notation for (2S)-2-(2,4-dimethoxyphenyl)piperidine?
The canonical SMILES for (2S)-2-(2,4-dimethoxyphenyl)piperidine is COc1ccc([C@@H]2CCCCN2)c(OC)c1.
What is the InChIKey of (2S)-2-(2,4-dimethoxyphenyl)piperidine?
The InChIKey is UPLHYQRIQVCOJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-15-10-6-7-11(13(9-10)16-2)12-5-3-4-8-14-12/h6-7,9,12,14H,3-5,8H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethoxyphenyl)piperidine?
(2S)-2-(2,4-dimethoxyphenyl)piperidine has a molecular weight of 221.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethoxyphenyl)piperidine is sourced from PubChem (CID 7022848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).