(3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid

C17H23NO3 — CID 155919412

IUPAC(3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid
SMILESO=C(O)[C@]1(CC2CC2)CN(Cc2ccccc2)CC[C@H]1O
InChIInChI=1S/C17H23NO3/c19-15-8-9-18(11-14-4-2-1-3-5-14)12-17(15,16(20)21)10-13-6-7-13/h1-5,13,15,19H,6-12H2,(H,20,21)/t15-,17-/m1/s1
InChIKeyQCMIZWGGHGRSDL-NVXWUHKLSA-N
MW289.37 g/mol
LogP2.12
Rot. Bonds5

About (3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid

(3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid (PubChem CID 155919412) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid
PubChem CID155919412
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name(3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid
SMILESO=C(O)[C@]1(CC2CC2)CN(Cc2ccccc2)CC[C@H]1O
InChIInChI=1S/C17H23NO3/c19-15-8-9-18(11-14-4-2-1-3-5-14)12-17(15,16(20)21)10-13-6-7-13/h1-5,13,15,19H,6-12H2,(H,20,21)/t15-,17-/m1/s1
InChIKeyQCMIZWGGHGRSDL-NVXWUHKLSA-N
XLogP2.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-hydroxy-3-(3-phenylpropyl)-1-(pyridin-4-ylmethyl)piperidine-3-carboxylic acid
CID 155912272
(3R,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 155911602
(3S,4S)-3-benzyl-4-hydroxy-1-[(4-methylsulfonylphenyl)methyl]piperidine-3-carboxylic acid
CID 135103560
(3R,4R)-3-benzyl-1-[[4-(carboxymethoxy)phenyl]methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 163306733
(3R,4R)-3-(cyclopropylmethyl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 155919400
(3R,4S)-1-[(4-ethylphenyl)methyl]-4-hydroxy-3-propylpiperidine-3-carboxylic acid
CID 163306788
(3R,4R)-3-benzyl-1-[(2-chloro-3-hydroxyphenyl)methyl]-4-hydroxypiperidine-3-carboxylic acid
CID 163308560
(3S,4R)-3-(cyclopropylmethyl)-4-hydroxy-1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 135103190
(3R,4S)-1-[(4-acetyl-1-methylpyrrol-2-yl)methyl]-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid
CID 155911297
(3R,4S)-1-benzyl-3-methylpiperidine-3,4-diol
CID 69332909
(3S,4S)-3-(cyclopropylmethyl)-4-hydroxy-1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-3-carboxylic acid
CID 135105236
7-benzyl-7-azaspiro[4.5]decan-10-ol
CID 82384805

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid (CID 155919412) is (3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid is O=C(O)[C@]1(CC2CC2)CN(Cc2ccccc2)CC[C@H]1O.
What is the InChIKey of (3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid?
The InChIKey is QCMIZWGGHGRSDL-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H23NO3/c19-15-8-9-18(11-14-4-2-1-3-5-14)12-17(15,16(20)21)10-13-6-7-13/h1-5,13,15,19H,6-12H2,(H,20,21)/t15-,17-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid?
(3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid has a molecular weight of 289.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-3-(cyclopropylmethyl)-4-hydroxypiperidine-3-carboxylic acid is sourced from PubChem (CID 155919412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).