(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol

C14H21NO — CID 95788131

IUPAC(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
SMILESO[C@@H](C[C@H]1CCCCCN1)c1ccccc1
InChIInChI=1S/C14H21NO/c16-14(12-7-3-1-4-8-12)11-13-9-5-2-6-10-15-13/h1,3-4,7-8,13-16H,2,5-6,9-11H2/t13-,14+/m1/s1
InChIKeyVKSOBYQYHWOSEY-KGLIPLIRSA-N
MW219.33 g/mol
LogP2.64
Rot. Bonds3

About (1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol

(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol (PubChem CID 95788131) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
PubChem CID95788131
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
SMILESO[C@@H](C[C@H]1CCCCCN1)c1ccccc1
InChIInChI=1S/C14H21NO/c16-14(12-7-3-1-4-8-12)11-13-9-5-2-6-10-15-13/h1,3-4,7-8,13-16H,2,5-6,9-11H2/t13-,14+/m1/s1
InChIKeyVKSOBYQYHWOSEY-KGLIPLIRSA-N
XLogP2.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
CID 114239649
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
2-(azepan-2-yl)-1-(3-fluorophenyl)ethanol
CID 79560091
1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914
1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
CID 84674533
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
CID 79560834
1-phenyl-2-(1-pyrrolidin-2-ylpropan-2-ylamino)ethanol
CID 79540027
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559738
3,3-diphenyl-1-piperidin-2-ylbutan-2-ol
CID 22237347

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol?
The IUPAC name of (1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol (CID 95788131) is (1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol.
What is the SMILES notation for (1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol?
The canonical SMILES for (1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol is O[C@@H](C[C@H]1CCCCCN1)c1ccccc1.
What is the InChIKey of (1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol?
The InChIKey is VKSOBYQYHWOSEY-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H21NO/c16-14(12-7-3-1-4-8-12)11-13-9-5-2-6-10-15-13/h1,3-4,7-8,13-16H,2,5-6,9-11H2/t13-,14+/m1/s1.
What are the key properties of (1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol?
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol has a molecular weight of 219.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol is sourced from PubChem (CID 95788131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).