1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride

C17H27ClNO2- — CID 21236643

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride
SMILESCC1CCCC(C)N1CC(O)COCc1ccccc1.[Cl-]
InChIInChI=1S/C17H27NO2.ClH/c1-14-7-6-8-15(2)18(14)11-17(19)13-20-12-16-9-4-3-5-10-16;/h3-5,9-10,14-15,17,19H,6-8,11-13H2,1-2H3;1H/p-1
InChIKeyKMVDZKPWUDIGIX-UHFFFAOYSA-M
MW312.86 g/mol
LogP-0.17
Rot. Bonds6

About 1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride

1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride (PubChem CID 21236643) has the molecular formula C17H27ClNO2- and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride
PubChem CID21236643
Molecular FormulaC17H27ClNO2-
Molecular Weight312.86 g/mol
Exact Mass312.17
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride
SMILESCC1CCCC(C)N1CC(O)COCc1ccccc1.[Cl-]
InChIInChI=1S/C17H27NO2.ClH/c1-14-7-6-8-15(2)18(14)11-17(19)13-20-12-16-9-4-3-5-10-16;/h3-5,9-10,14-15,17,19H,6-8,11-13H2,1-2H3;1H/p-1
InChIKeyKMVDZKPWUDIGIX-UHFFFAOYSA-M
XLogP-0.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 25346087
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol chloride
CID 53346846
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21236635
(2S)-1-phenylmethoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 740501
(2S)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-[4-[(2S)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 124721948
(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 11901367
1-phenylmethoxy-3-piperidin-1-ylpropan-2-ol
CID 2769742
1-(2-hydroxy-3-phenylmethoxypropyl)piperidin-4-ol
CID 60632394
1-[(2R)-2-hydroxy-3-phenylmethoxypropyl]piperidin-4-ol
CID 95232047
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 115312774

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride (CID 21236643) is 1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride is CC1CCCC(C)N1CC(O)COCc1ccccc1.[Cl-].
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride?
The InChIKey is KMVDZKPWUDIGIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H27NO2.ClH/c1-14-7-6-8-15(2)18(14)11-17(19)13-20-12-16-9-4-3-5-10-16;/h3-5,9-10,14-15,17,19H,6-8,11-13H2,1-2H3;1H/p-1.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride?
1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride has a molecular weight of 312.86 g/mol, XLogP of -0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride is sourced from PubChem (CID 21236643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).