(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol

C15H23NO3 — CID 70943120

IUPAC(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol
SMILESOC[C@H](O)COc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H23NO3/c17-11-14(18)12-19-15-6-4-5-13(9-15)10-16-7-2-1-3-8-16/h4-6,9,14,17-18H,1-3,7-8,10-12H2/t14-/m0/s1
InChIKeyBKZVMVGMSMVHRY-AWEZNQCLSA-N
MW265.35 g/mol
LogP1.40
Rot. Bonds6

About (2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol

(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol (PubChem CID 70943120) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol
PubChem CID70943120
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol
SMILESOC[C@H](O)COc1cccc(CN2CCCCC2)c1
InChIInChI=1S/C15H23NO3/c17-11-14(18)12-19-15-6-4-5-13(9-15)10-16-7-2-1-3-8-16/h4-6,9,14,17-18H,1-3,7-8,10-12H2/t14-/m0/s1
InChIKeyBKZVMVGMSMVHRY-AWEZNQCLSA-N
XLogP1.40
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(azepan-1-yl)-3-[3-(azetidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97274515
(2R)-1-[3-(piperidin-1-ylmethyl)phenoxy]propan-2-ol
CID 143915546
(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
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
methyl 1-[[3-[3-(azepan-1-yl)-2-hydroxypropoxy]phenyl]methyl]piperidine-4-carboxylate
CID 45205503
1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methanol
CID 68777108
3-[3-(azepan-1-ylmethyl)phenoxy]propan-1-amine
CID 14625124
3-[3-(piperidin-1-ylmethyl)anilino]propane-1,2-diol
CID 168593426

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol?
The IUPAC name of (2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol (CID 70943120) is (2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol?
The canonical SMILES for (2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol is OC[C@H](O)COc1cccc(CN2CCCCC2)c1.
What is the InChIKey of (2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol?
The InChIKey is BKZVMVGMSMVHRY-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23NO3/c17-11-14(18)12-19-15-6-4-5-13(9-15)10-16-7-2-1-3-8-16/h4-6,9,14,17-18H,1-3,7-8,10-12H2/t14-/m0/s1.
What are the key properties of (2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol?
(2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol has a molecular weight of 265.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[3-(piperidin-1-ylmethyl)phenoxy]propane-1,2-diol is sourced from PubChem (CID 70943120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).