[(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

C18H26N2O2 — CID 124889673

IUPAC[(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H](O)CN1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c21-16-12-17(19-13-16)18(22)20-10-8-15(9-11-20)7-6-14-4-2-1-3-5-14/h1-5,15-17,19,21H,6-13H2/t16-,17+/m1/s1
InChIKeyWLVDNIHAKWOAFO-SJORKVTESA-N
MW302.42 g/mol
LogP1.58
Rot. Bonds4

About [(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone

[(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 124889673) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID124889673
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C([C@@H]1C[C@@H](O)CN1)N1CCC(CCc2ccccc2)CC1
InChIInChI=1S/C18H26N2O2/c21-16-12-17(19-13-16)18(22)20-10-8-15(9-11-20)7-6-14-4-2-1-3-5-14/h1-5,15-17,19,21H,6-13H2/t16-,17+/m1/s1
InChIKeyWLVDNIHAKWOAFO-SJORKVTESA-N
XLogP1.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-4-hydroxypyrrolidin-2-yl]-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 124696685
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethoxy)piperidin-1-yl]methanone
CID 125154106
[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]-[(2R,4S)-4-hydroxypyrrolidin-2-yl]methanone
CID 125150871
1-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 119764298
1-[4-(4-hydroxypyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 119754752
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
2-[1-(4-hydroxypyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615736
(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60858034
morpholin-2-yl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 119698790
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 114797528
8-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899673
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119275906

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of [(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone (CID 124889673) is [(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is O=C([C@@H]1C[C@@H](O)CN1)N1CCC(CCc2ccccc2)CC1.
What is the InChIKey of [(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is WLVDNIHAKWOAFO-SJORKVTESA-N. The full InChI is InChI=1S/C18H26N2O2/c21-16-12-17(19-13-16)18(22)20-10-8-15(9-11-20)7-6-14-4-2-1-3-5-14/h1-5,15-17,19,21H,6-13H2/t16-,17+/m1/s1.
What are the key properties of [(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone?
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124889673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).