(2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol

C18H29NO2 — CID 124814286

IUPAC(2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol
SMILESCC[C@H](OC[C@H](O)CN1CCCC[C@H]1C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-3-18(16-10-5-4-6-11-16)21-14-17(20)13-19-12-8-7-9-15(19)2/h4-6,10-11,15,17-18,20H,3,7-9,12-14H2,1-2H3/t15-,17-,18+/m1/s1
InChIKeyKZUCROJGSXJBCA-NXHRZFHOSA-N
MW291.44 g/mol
LogP3.39
Rot. Bonds7

About (2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol

(2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol (PubChem CID 124814286) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol
PubChem CID124814286
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name(2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol
SMILESCC[C@H](OC[C@H](O)CN1CCCC[C@H]1C)c1ccccc1
InChIInChI=1S/C18H29NO2/c1-3-18(16-10-5-4-6-11-16)21-14-17(20)13-19-12-8-7-9-15(19)2/h4-6,10-11,15,17-18,20H,3,7-9,12-14H2,1-2H3/t15-,17-,18+/m1/s1
InChIKeyKZUCROJGSXJBCA-NXHRZFHOSA-N
XLogP3.39
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423161
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190
1-(2-methylpyrrolidin-1-yl)-3-phenoxypropan-2-ol
CID 3125455
(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
ethyl 1-[(2S)-2-hydroxy-3-[(1S)-1-phenylpropoxy]propyl]piperidine-4-carboxylate
CID 7025209
ethyl 1-[2-hydroxy-3-(1-phenylpropoxy)propyl]piperidine-4-carboxylate chloride
CID 53352733
1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 574512
1-(4-ethylphenoxy)-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 3395732
3-(1-phenylpropoxy)propane-1,2-diol
CID 134964704
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451
(2S)-1-(4-bromophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 1308324
3-(2-methylpyrrolidin-1-yl)-2-phenylpropan-1-ol
CID 53416012

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol?
The IUPAC name of (2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol (CID 124814286) is (2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol is CC[C@H](OC[C@H](O)CN1CCCC[C@H]1C)c1ccccc1.
What is the InChIKey of (2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol?
The InChIKey is KZUCROJGSXJBCA-NXHRZFHOSA-N. The full InChI is InChI=1S/C18H29NO2/c1-3-18(16-10-5-4-6-11-16)21-14-17(20)13-19-12-8-7-9-15(19)2/h4-6,10-11,15,17-18,20H,3,7-9,12-14H2,1-2H3/t15-,17-,18+/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol?
(2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-methylpiperidin-1-yl]-3-[(1S)-1-phenylpropoxy]propan-2-ol is sourced from PubChem (CID 124814286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).