(2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride

C14H22ClNO — CID 171688493

IUPAC(2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride
SMILESCO[C@H]1CCCN[C@H]1Cc1ccc(C)cc1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-11-5-7-12(8-6-11)10-13-14(16-2)4-3-9-15-13;/h5-8,13-15H,3-4,9-10H2,1-2H3;1H/t13-,14-;/m0./s1
InChIKeyAQUQELGREWJQGU-IODNYQNNSA-N
MW255.79 g/mol
LogP2.73
Rot. Bonds3

About (2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride

(2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride (PubChem CID 171688493) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is (2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride
PubChem CID171688493
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC Name(2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride
SMILESCO[C@H]1CCCN[C@H]1Cc1ccc(C)cc1.Cl
InChIInChI=1S/C14H21NO.ClH/c1-11-5-7-12(8-6-11)10-13-14(16-2)4-3-9-15-13;/h5-8,13-15H,3-4,9-10H2,1-2H3;1H/t13-,14-;/m0./s1
InChIKeyAQUQELGREWJQGU-IODNYQNNSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[(4-methylphenyl)methyl]pyrrolidin-3-ol
CID 83829838
3-methoxy-4-[(4-methylphenyl)methyl]piperidine
CID 84735196
4-methoxy-3-[(4-methylphenyl)methyl]piperidine
CID 84735199
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
1-[(4-methoxycyclohexyl)methyl]-4-methylbenzene
CID 59957371
3-methoxy-2-(4-methylphenyl)pyrrolidine
CID 105445330
2-benzylpiperidin-3-ol;hydrochloride
CID 115036439
(3aS,4R,8R,8aS)-4,8-bis[(4-methylphenyl)methyl]-3a,4,5,7,8,8a-hexahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-6-one
CID 100984884
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990
1-(4-methylphenyl)-2-pyrrolidin-2-ylpropan-2-ol
CID 105474764

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride?
The IUPAC name of (2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride (CID 171688493) is (2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride.
What is the SMILES notation for (2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride?
The canonical SMILES for (2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride is CO[C@H]1CCCN[C@H]1Cc1ccc(C)cc1.Cl.
What is the InChIKey of (2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride?
The InChIKey is AQUQELGREWJQGU-IODNYQNNSA-N. The full InChI is InChI=1S/C14H21NO.ClH/c1-11-5-7-12(8-6-11)10-13-14(16-2)4-3-9-15-13;/h5-8,13-15H,3-4,9-10H2,1-2H3;1H/t13-,14-;/m0./s1.
What are the key properties of (2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride?
(2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methoxy-2-[(4-methylphenyl)methyl]piperidine;hydrochloride is sourced from PubChem (CID 171688493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).