(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol

C16H25NO2 — CID 70761607

IUPAC(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
SMILESCC(C)(O)CCc1ccc(CN2CC[C@@H](O)C2)cc1
InChIInChI=1S/C16H25NO2/c1-16(2,19)9-7-13-3-5-14(6-4-13)11-17-10-8-15(18)12-17/h3-6,15,18-19H,7-12H2,1-2H3/t15-/m1/s1
InChIKeyRHKMBOBIUDFFDX-OAHLLOKOSA-N
MW263.38 g/mol
LogP1.96
Rot. Bonds5

About (3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol

(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 70761607) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID70761607
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
SMILESCC(C)(O)CCc1ccc(CN2CC[C@@H](O)C2)cc1
InChIInChI=1S/C16H25NO2/c1-16(2,19)9-7-13-3-5-14(6-4-13)11-17-10-8-15(18)12-17/h3-6,15,18-19H,7-12H2,1-2H3/t15-/m1/s1
InChIKeyRHKMBOBIUDFFDX-OAHLLOKOSA-N
XLogP1.96
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70755812
4-[4-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70773562
(3S)-1-[(4-bromophenyl)methyl]pyrrolidin-3-ol
CID 59424626
(3R)-1-[[4-(dimethylamino)phenyl]methyl]pyrrolidin-3-ol
CID 103881907
2-methyl-4-[4-[(3-morpholin-4-ylazetidin-1-yl)methyl]phenyl]butan-2-ol
CID 70766914
(3R)-1-[(4-ethenylphenyl)methyl]pyrrolidin-3-ol
CID 129494089
4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]benzonitrile
CID 78930300
1-[[4-(1,1-difluoroethyl)phenyl]methyl]piperidin-3-ol
CID 46739874
[1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 70779312
(2S)-4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 95862793
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
(3R)-1-(1H-pyrrol-3-ylmethyl)pyrrolidin-3-ol
CID 103881965

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol (CID 70761607) is (3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol is CC(C)(O)CCc1ccc(CN2CC[C@@H](O)C2)cc1.
What is the InChIKey of (3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is RHKMBOBIUDFFDX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,19)9-7-13-3-5-14(6-4-13)11-17-10-8-15(18)12-17/h3-6,15,18-19H,7-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol?
(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 263.38 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 70761607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).