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

C16H25NO2 — CID 5146606

IUPAC1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
SMILESCC1CCCCN1CC(O)COCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-14-7-5-6-10-17(14)11-16(18)13-19-12-15-8-3-2-4-9-15/h2-4,8-9,14,16,18H,5-7,10-13H2,1H3
InChIKeyDLFVXIYMUUKFNO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.44
Rot. Bonds6

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

1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol (PubChem CID 5146606) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
PubChem CID5146606
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
SMILESCC1CCCCN1CC(O)COCc1ccccc1
InChIInChI=1S/C16H25NO2/c1-14-7-5-6-10-17(14)11-16(18)13-19-12-15-8-3-2-4-9-15/h2-4,8-9,14,16,18H,5-7,10-13H2,1H3
InChIKeyDLFVXIYMUUKFNO-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol (CID 5146606) is 1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol is CC1CCCCN1CC(O)COCc1ccccc1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
The InChIKey is DLFVXIYMUUKFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14-7-5-6-10-17(14)11-16(18)13-19-12-15-8-3-2-4-9-15/h2-4,8-9,14,16,18H,5-7,10-13H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol?
1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol is sourced from PubChem (CID 5146606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).