ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate

C18H25NO3 — CID 12687007

IUPACethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@]1(c2cccc(O)c2)CCCN(CC2CC2)C1
InChIInChI=1S/C18H25NO3/c1-2-22-17(21)18(15-5-3-6-16(20)11-15)9-4-10-19(13-18)12-14-7-8-14/h3,5-6,11,14,20H,2,4,7-10,12-13H2,1H3/t18-/m1/s1
InChIKeyOXUKUIWKYBCOTM-GOSISDBHSA-N
MW303.40 g/mol
LogP2.70
Rot. Bonds5

About ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate

ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate (PubChem CID 12687007) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate
PubChem CID12687007
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nameethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate
SMILESCCOC(=O)[C@]1(c2cccc(O)c2)CCCN(CC2CC2)C1
InChIInChI=1S/C18H25NO3/c1-2-22-17(21)18(15-5-3-6-16(20)11-15)9-4-10-19(13-18)12-14-7-8-14/h3,5-6,11,14,20H,2,4,7-10,12-13H2,1H3/t18-/m1/s1
InChIKeyOXUKUIWKYBCOTM-GOSISDBHSA-N
XLogP2.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Hydroxypethidine
CID 61120
Adl-08-0011
CID 9951118
2-Benzyl-3-[(3R,4R)-4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-yl]-propionic acid
CID 9976250
3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoic acid
CID 140995821
3-(3-Hydroxy-phenyl)-1-methyl-piperidine-3-carboxylic acid ethyl ester
CID 12686997
1-Allyl-3-(3-hydroxy-phenyl)-piperidine-3-carboxylic acid ethyl ester
CID 12687002
3-(3-Hydroxy-phenyl)-2-methyl-1-phenethyl-piperidine-3-carboxylic acid ethyl ester
CID 44303613
1-Cyclopropylmethyl-3-(3-hydroxy-phenyl)-2-methyl-piperidine-3-carboxylic acid ethyl ester
CID 44303661
1-Allyl-3-(3-hydroxy-phenyl)-2-methyl-piperidine-3-carboxylic acid ethyl ester
CID 44303677
3-(3-Hydroxy-phenyl)-1,2-dimethyl-piperidine-3-carboxylic acid ethyl ester
CID 44303768
methyl (2S)-2-(3-hydroxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45259402
(R)-methyl 2-(3-hydroxyphenyl)-2-((R)-piperidin-2-yl)acetate
CID 52947664

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate (CID 12687007) is ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate is CCOC(=O)[C@]1(c2cccc(O)c2)CCCN(CC2CC2)C1.
What is the InChIKey of ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate?
The InChIKey is OXUKUIWKYBCOTM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H25NO3/c1-2-22-17(21)18(15-5-3-6-16(20)11-15)9-4-10-19(13-18)12-14-7-8-14/h3,5-6,11,14,20H,2,4,7-10,12-13H2,1H3/t18-/m1/s1.
What are the key properties of ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate?
ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate is sourced from PubChem (CID 12687007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).