(3S)-3-(phenoxymethyl)piperidin-3-ol

C12H17NO2 — CID 129366036

IUPAC(3S)-3-(phenoxymethyl)piperidin-3-ol
SMILESO[C@@]1(COc2ccccc2)CCCNC1
InChIInChI=1S/C12H17NO2/c14-12(7-4-8-13-9-12)10-15-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2/t12-/m0/s1
InChIKeyQTCCAWZJVSBZDK-LBPRGKRZSA-N
MW207.27 g/mol
LogP1.18
Rot. Bonds3

About (3S)-3-(phenoxymethyl)piperidin-3-ol

(3S)-3-(phenoxymethyl)piperidin-3-ol (PubChem CID 129366036) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (3S)-3-(phenoxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-3-(phenoxymethyl)piperidin-3-ol
PubChem CID129366036
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(3S)-3-(phenoxymethyl)piperidin-3-ol
SMILESO[C@@]1(COc2ccccc2)CCCNC1
InChIInChI=1S/C12H17NO2/c14-12(7-4-8-13-9-12)10-15-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2/t12-/m0/s1
InChIKeyQTCCAWZJVSBZDK-LBPRGKRZSA-N
XLogP1.18
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(phenoxymethyl)-1,4-oxazepan-6-ol
CID 175661755
1-[(4-phenylphenoxy)methyl]cyclopentan-1-ol
CID 65212692
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-phenoxybutanamide
CID 91836814
3-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213745
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213795
3-(ethoxymethyl)-3-(phenoxymethyl)pyrrolidine
CID 135330011
1-benzhydryl-3-[[(3S)-3-hydroxypiperidin-3-yl]methyl]urea
CID 126434205
1-(naphthalen-2-yloxymethyl)cyclohexan-1-ol
CID 65213943
3-methyl-N-(3-phenoxypropyl)piperidine-3-carboxamide
CID 63133086
1-[4-hydroxy-4-(phenoxymethyl)azepan-1-yl]-2-phenylethanone
CID 155990787
N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440803
1-[(3-fluorophenoxy)methyl]cyclohexan-1-ol
CID 65213847

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(phenoxymethyl)piperidin-3-ol?
The IUPAC name of (3S)-3-(phenoxymethyl)piperidin-3-ol (CID 129366036) is (3S)-3-(phenoxymethyl)piperidin-3-ol.
What is the SMILES notation for (3S)-3-(phenoxymethyl)piperidin-3-ol?
The canonical SMILES for (3S)-3-(phenoxymethyl)piperidin-3-ol is O[C@@]1(COc2ccccc2)CCCNC1.
What is the InChIKey of (3S)-3-(phenoxymethyl)piperidin-3-ol?
The InChIKey is QTCCAWZJVSBZDK-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H17NO2/c14-12(7-4-8-13-9-12)10-15-11-5-2-1-3-6-11/h1-3,5-6,13-14H,4,7-10H2/t12-/m0/s1.
What are the key properties of (3S)-3-(phenoxymethyl)piperidin-3-ol?
(3S)-3-(phenoxymethyl)piperidin-3-ol has a molecular weight of 207.27 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(phenoxymethyl)piperidin-3-ol is sourced from PubChem (CID 129366036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).