[4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol

C14H21NO2 — CID 166644981

IUPAC[4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol
SMILESCN[C@]1(CO)CC[C@@H](c2ccc(CO)cc2)C1
InChIInChI=1S/C14H21NO2/c1-15-14(10-17)7-6-13(8-14)12-4-2-11(9-16)3-5-12/h2-5,13,15-17H,6-10H2,1H3/t13-,14-/m1/s1
InChIKeyHFHFRAHQVJUFCH-ZIAGYGMSSA-N
MW235.33 g/mol
LogP1.40
Rot. Bonds4

About [4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol

[4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol (PubChem CID 166644981) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol
PubChem CID166644981
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol
SMILESCN[C@]1(CO)CC[C@@H](c2ccc(CO)cc2)C1
InChIInChI=1S/C14H21NO2/c1-15-14(10-17)7-6-13(8-14)12-4-2-11(9-16)3-5-12/h2-5,13,15-17H,6-10H2,1H3/t13-,14-/m1/s1
InChIKeyHFHFRAHQVJUFCH-ZIAGYGMSSA-N
XLogP1.40
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol?
The IUPAC name of [4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol (CID 166644981) is [4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol.
What is the SMILES notation for [4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol?
The canonical SMILES for [4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol is CN[C@]1(CO)CC[C@@H](c2ccc(CO)cc2)C1.
What is the InChIKey of [4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol?
The InChIKey is HFHFRAHQVJUFCH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H21NO2/c1-15-14(10-17)7-6-13(8-14)12-4-2-11(9-16)3-5-12/h2-5,13,15-17H,6-10H2,1H3/t13-,14-/m1/s1.
What are the key properties of [4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol?
[4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R,3R)-3-(hydroxymethyl)-3-(methylamino)cyclopentyl]phenyl]methanol is sourced from PubChem (CID 166644981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).