(2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid

C17H25NO2 — CID 122124952

IUPAC(2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid
SMILESCC(Cc1ccccc1)CN1CCC[C@H](C(=O)O)[C@@H]1C
InChIInChI=1S/C17H25NO2/c1-13(11-15-7-4-3-5-8-15)12-18-10-6-9-16(14(18)2)17(19)20/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3,(H,19,20)/t13?,14-,16-/m0/s1
InChIKeyDQRWCLMSMFWHBS-DSUHRAPHSA-N
MW275.39 g/mol
LogP3.05
Rot. Bonds5

About (2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid

(2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid (PubChem CID 122124952) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid
PubChem CID122124952
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid
SMILESCC(Cc1ccccc1)CN1CCC[C@H](C(=O)O)[C@@H]1C
InChIInChI=1S/C17H25NO2/c1-13(11-15-7-4-3-5-8-15)12-18-10-6-9-16(14(18)2)17(19)20/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3,(H,19,20)/t13?,14-,16-/m0/s1
InChIKeyDQRWCLMSMFWHBS-DSUHRAPHSA-N
XLogP3.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383005
(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 122124688
(2R,3R)-1-[(2-chlorophenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124676
(2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine
CID 70416000
2-methyl-1-(1-phenylbutan-2-yl)pyrrolidine-3-carboxylic acid
CID 79383409
(2R,3R)-1-[(4-tert-butylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124631
(2R,3R)-1-[(4-cyclopropylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122125097
2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
CID 79370819
(2S,3S)-2-methyl-1-[2-methyl-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 122116521
(2R,3R)-2-methyl-1-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]piperidine-3-carboxylic acid
CID 122125092
methyl 3-(2,3-dimethylpiperidin-1-yl)-2-phenylpropanoate
CID 64566277
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 110355924

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid (CID 122124952) is (2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid is CC(Cc1ccccc1)CN1CCC[C@H](C(=O)O)[C@@H]1C.
What is the InChIKey of (2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid?
The InChIKey is DQRWCLMSMFWHBS-DSUHRAPHSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13(11-15-7-4-3-5-8-15)12-18-10-6-9-16(14(18)2)17(19)20/h3-5,7-8,13-14,16H,6,9-12H2,1-2H3,(H,19,20)/t13?,14-,16-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid?
(2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid has a molecular weight of 275.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122124952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).