(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine

C14H21NO — CID 159772789

IUPAC(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
SMILESCOc1ccccc1N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C14H21NO/c1-11-8-12(2)10-15(9-11)13-6-4-5-7-14(13)16-3/h4-7,11-12H,8-10H2,1-3H3/t11-,12+
InChIKeyNGIKIFMVSBHNTA-TXEJJXNPSA-N
MW219.33 g/mol
LogP3.18
Rot. Bonds2

About (3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine

(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine (PubChem CID 159772789) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine.

Molecular Properties

Compound Name(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
PubChem CID159772789
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
SMILESCOc1ccccc1N1C[C@H](C)C[C@H](C)C1
InChIInChI=1S/C14H21NO/c1-11-8-12(2)10-15(9-11)13-6-4-5-7-14(13)16-3/h4-7,11-12H,8-10H2,1-3H3/t11-,12+
InChIKeyNGIKIFMVSBHNTA-TXEJJXNPSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3,5-dimethylpiperidin-1-yl)-6-methoxyphenyl]methanamine
CID 134085949
3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 115004150
1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine
CID 175916234
4-(3,5-dimethylpiperidin-1-yl)-3-methoxyaniline
CID 91679308
(3aR,6aS)-5-(2-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 71262063
1-(2-methoxyphenyl)-4-[(1S,3R)-3-methylcyclopentyl]piperazine
CID 782078
(3S,5S)-1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 99966472
1-(2-methoxy-4-nitrophenyl)-3,5-dimethylpiperidine
CID 91679307
1-tert-butyl-4-(2-methoxyphenyl)-2-methylpiperazine
CID 59648018
[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
CID 69184763
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanol
CID 43121084

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine?
The IUPAC name of (3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine (CID 159772789) is (3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine.
What is the SMILES notation for (3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine?
The canonical SMILES for (3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine is COc1ccccc1N1C[C@H](C)C[C@H](C)C1.
What is the InChIKey of (3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine?
The InChIKey is NGIKIFMVSBHNTA-TXEJJXNPSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-8-12(2)10-15(9-11)13-6-4-5-7-14(13)16-3/h4-7,11-12H,8-10H2,1-3H3/t11-,12+.
What are the key properties of (3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine?
(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine has a molecular weight of 219.33 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine is sourced from PubChem (CID 159772789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).