1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol

C16H25NO2 — CID 2834350

IUPAC1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
SMILESCC1CCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C16H25NO2/c1-14-7-9-17(10-8-14)11-16(18)13-19-12-15-5-3-2-4-6-15/h2-6,14,16,18H,7-13H2,1H3
InChIKeyZJGQTTIKKSAADO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.30
Rot. Bonds6

About 1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol

1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 2834350) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
PubChem CID2834350
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
SMILESCC1CCN(CC(O)COCc2ccccc2)CC1
InChIInChI=1S/C16H25NO2/c1-14-7-9-17(10-8-14)11-16(18)13-19-12-15-5-3-2-4-6-15/h2-6,14,16,18H,7-13H2,1H3
InChIKeyZJGQTTIKKSAADO-UHFFFAOYSA-N
XLogP2.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 60768507
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-(4-cyclohexyloxypiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 110910900
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
1-[(2S)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-one
CID 95357977
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 40604099

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol (CID 2834350) is 1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol is CC1CCN(CC(O)COCc2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is ZJGQTTIKKSAADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-7-9-17(10-8-14)11-16(18)13-19-12-15-5-3-2-4-6-15/h2-6,14,16,18H,7-13H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 2834350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).