(2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone

C22H26N2O2 — CID 73158126

IUPAC(2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
SMILESO=C(C1CC(O)CN1)N1CCCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-18-14-19(23-15-18)22(26)24-13-7-12-20(24)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-21,23,25H,7,12-15H2
InChIKeyNYZAYIQCFFHZGK-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.53
Rot. Bonds4

About (2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone

(2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone (PubChem CID 73158126) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
PubChem CID73158126
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone
SMILESO=C(C1CC(O)CN1)N1CCCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H26N2O2/c25-18-14-19(23-15-18)22(26)24-13-7-12-20(24)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-21,23,25H,7,12-15H2
InChIKeyNYZAYIQCFFHZGK-UHFFFAOYSA-N
XLogP2.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-benzhydrylpyrrolidin-1-yl]-[(2S)-pyrrolidin-4-id-2-yl]methanone;manganese
CID 145485125
[2-(2-chlorophenyl)pyrrolidin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 60947717
1-(4-hydroxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61156945
(4-hydroxypyrrolidin-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 54869522
1-phenylethyl (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 61279063
[(1R)-4-(2-aminoethyl)cyclooctyl]-[(2S)-2-benzhydrylpyrrolidin-1-yl]methanone
CID 142080675
(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60858034
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl-(4-hydroxypyrrolidin-2-yl)methanone
CID 119807396
2-[[(2S)-1-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 101267436
(2R,4S)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125138942
(2S,4R)-N-(2,2-diphenylethyl)-4-hydroxypyrrolidine-2-carboxamide
CID 125150269
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 124889673

Frequently Asked Questions

What is the IUPAC name of (2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The IUPAC name of (2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone (CID 73158126) is (2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The canonical SMILES for (2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone is O=C(C1CC(O)CN1)N1CCCC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
The InChIKey is NYZAYIQCFFHZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c25-18-14-19(23-15-18)22(26)24-13-7-12-20(24)21(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-6,8-11,18-21,23,25H,7,12-15H2.
What are the key properties of (2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone?
(2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone has a molecular weight of 350.46 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzhydrylpyrrolidin-1-yl)-(4-hydroxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 73158126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).