cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone

C15H19NO2 — CID 13039297

IUPACcyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@H](O)[C@H](c2ccccc2)C1
InChIInChI=1S/C15H19NO2/c17-14-8-9-16(15(18)12-6-7-12)10-13(14)11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2/t13-,14-/m0/s1
InChIKeyWAEQKHBKKKABDB-KBPBESRZSA-N
MW245.32 g/mol
LogP1.77
Rot. Bonds2

About cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone

cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone (PubChem CID 13039297) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone
PubChem CID13039297
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namecyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@H](O)[C@H](c2ccccc2)C1
InChIInChI=1S/C15H19NO2/c17-14-8-9-16(15(18)12-6-7-12)10-13(14)11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2/t13-,14-/m0/s1
InChIKeyWAEQKHBKKKABDB-KBPBESRZSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72875520
bis(cyclopropyl-[(3S,4R)-4-(4-fluorophenoxy)-3-phenylpiperidin-1-yl]methanone);hydrate
CID 70531461
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methylpiperidin-4-yl)methanone;dihydrochloride
CID 120742855
(3S,4R)-1-[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-4-phenylpyrrolidine-3-carboxylic acid
CID 70736183
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
[4-(aminomethyl)cyclohexyl]-(3-phenylpiperidin-1-yl)methanone
CID 46967384
1-methyl-3-phenylpiperidin-4-ol;hydrochloride
CID 70615066
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120749109
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(thian-4-yl)methanone
CID 120745667
(3S,4S)-4-amino-3-phenylpiperidine-1-carboxylic acid
CID 134278909

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone (CID 13039297) is cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone is O=C(C1CC1)N1CC[C@H](O)[C@H](c2ccccc2)C1.
What is the InChIKey of cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone?
The InChIKey is WAEQKHBKKKABDB-KBPBESRZSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14-8-9-16(15(18)12-6-7-12)10-13(14)11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2/t13-,14-/m0/s1.
What are the key properties of cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone?
cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone has a molecular weight of 245.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R,4S)-4-hydroxy-3-phenylpiperidin-1-yl]methanone is sourced from PubChem (CID 13039297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).