(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol

C15H23NO2 — CID 143915546

IUPAC(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
SMILESC[C@@H](O)COc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H23NO2/c1-13(17)12-18-15-7-5-6-14(10-15)11-16-8-3-2-4-9-16/h5-7,10,13,17H,2-4,8-9,11-12H2,1H3/t13-/m1/s1
InChIKeyLIXCMGCNOICVMF-CYBMUJFWSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds5

About (2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol

(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol (PubChem CID 143915546) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
PubChem CID143915546
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
SMILESC[C@@H](O)COc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H23NO2/c1-13(17)12-18-15-7-5-6-14(10-15)11-16-8-3-2-4-9-16/h5-7,10,13,17H,2-4,8-9,11-12H2,1H3/t13-/m1/s1
InChIKeyLIXCMGCNOICVMF-CYBMUJFWSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol
CID 70943120
(2R)-1-(azepan-1-yl)-3-[3-(azetidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97274515
(2R)-1-(azepan-1-yl)-3-[3-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97285580
(2S)-1-(azepan-1-yl)-3-[3-[(4-fluoropiperidin-1-yl)methyl]phenoxy]propan-2-ol
CID 97285581
1-(azepan-1-yl)-3-[3-(1,4-oxazepan-4-ylmethyl)phenoxy]propan-2-ol
CID 72839922
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 72898065
methyl 1-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperidine-4-carboxylate
CID 45205503
1-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]phenoxy]-3-(azocan-1-yl)propan-2-ol
CID 172656826
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methanol
CID 68777108
1-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-3-propan-2-ylurea
CID 14514755
(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol (CID 143915546) is (2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol is C[C@@H](O)COc1cccc(CN2CCCCC2)c1.
What is the InChIKey of (2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol?
The InChIKey is LIXCMGCNOICVMF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13(17)12-18-15-7-5-6-14(10-15)11-16-8-3-2-4-9-16/h5-7,10,13,17H,2-4,8-9,11-12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol?
(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol has a molecular weight of 249.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 143915546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).