1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride

C22H29ClNO3- — CID 53313606

IUPAC1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride
SMILESCOc1cccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)c1.[Cl-]
InChIInChI=1S/C22H29NO3.ClH/c1-25-21-8-5-9-22(15-21)26-17-20(24)16-23-12-10-19(11-13-23)14-18-6-3-2-4-7-18;/h2-9,15,19-20,24H,10-14,16-17H2,1H3;1H/p-1
InChIKeyGQXWYVZAAWIDJY-UHFFFAOYSA-M
MW390.93 g/mol
LogP0.39
Rot. Bonds8

About 1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride

1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride (PubChem CID 53313606) has the molecular formula C22H29ClNO3- and a molecular weight of 390.93 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride
PubChem CID53313606
Molecular FormulaC22H29ClNO3-
Molecular Weight390.93 g/mol
Exact Mass390.18
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride
SMILESCOc1cccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)c1.[Cl-]
InChIInChI=1S/C22H29NO3.ClH/c1-25-21-8-5-9-22(15-21)26-17-20(24)16-23-12-10-19(11-13-23)14-18-6-3-2-4-7-18;/h2-9,15,19-20,24H,10-14,16-17H2,1H3;1H/p-1
InChIKeyGQXWYVZAAWIDJY-UHFFFAOYSA-M
XLogP0.39
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]benzoate chloride
CID 46863809
1-(4-benzylpiperidin-1-yl)-3-(2,3-dihydro-1H-inden-5-yloxy)propan-2-ol;hydrochloride
CID 16806975
1-(3-methoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2892284
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588343
(2R)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 737489
1-(4-benzylpiperidin-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 18807405
1-(3-methoxyphenoxy)-3-morpholin-4-ylpropan-2-ol;hydrochloride
CID 2770236
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 40786891
(2R)-1-(4-benzylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 780314
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 5150847
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53347090
1-[4-(1-adamantyl)phenoxy]-3-(4-benzylpiperidin-1-yl)propan-2-ol chloride
CID 21237461

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride (CID 53313606) is 1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride is COc1cccc(OCC(O)CN2CCC(Cc3ccccc3)CC2)c1.[Cl-].
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride?
The InChIKey is GQXWYVZAAWIDJY-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H29NO3.ClH/c1-25-21-8-5-9-22(15-21)26-17-20(24)16-23-12-10-19(11-13-23)14-18-6-3-2-4-7-18;/h2-9,15,19-20,24H,10-14,16-17H2,1H3;1H/p-1.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride?
1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride has a molecular weight of 390.93 g/mol, XLogP of 0.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-(3-methoxyphenoxy)propan-2-ol chloride is sourced from PubChem (CID 53313606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).