1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride

C15H22Cl2NO3- — CID 21236718

IUPAC1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride
SMILESOCC1CCCCN1CC(O)COc1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C15H22ClNO3.ClH/c16-12-4-6-15(7-5-12)20-11-14(19)9-17-8-2-1-3-13(17)10-18;/h4-7,13-14,18-19H,1-3,8-11H2;1H/p-1
InChIKeyKMSPEGVTUUGNMW-UHFFFAOYSA-M
MW335.25 g/mol
LogP-1.07
Rot. Bonds6

About 1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride

1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride (PubChem CID 21236718) has the molecular formula C15H22Cl2NO3- and a molecular weight of 335.25 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride
PubChem CID21236718
Molecular FormulaC15H22Cl2NO3-
Molecular Weight335.25 g/mol
Exact Mass334.10
IUPAC Name1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride
SMILESOCC1CCCCN1CC(O)COc1ccc(Cl)cc1.[Cl-]
InChIInChI=1S/C15H22ClNO3.ClH/c16-12-4-6-15(7-5-12)20-11-14(19)9-17-8-2-1-3-13(17)10-18;/h4-7,13-14,18-19H,1-3,8-11H2;1H/p-1
InChIKeyKMSPEGVTUUGNMW-UHFFFAOYSA-M
XLogP-1.07
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol;hydrochloride
CID 44782330
1-(4-bromophenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
CID 110921512
1-(4-tert-butylphenoxy)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
CID 110921385
1-[2-(2-hydroxyethyl)piperidin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 110877404
1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 61406761
1-(2,5-dichlorophenoxy)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 110877407
1-[2-(2-methylpropyl)piperidin-1-yl]-3-(4-methylsulfonylphenoxy)propan-2-ol
CID 164906220
(2S)-1-[(2S)-2-(hydroxymethyl)piperidin-1-yl]-3-(3-nitrophenoxy)propan-2-ol
CID 7998318
1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
CID 110887687
1-(2-methylpiperidin-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 574512
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-[(2R)-2-ethylpiperidin-1-yl]propan-2-ol
CID 7746013
1-(4-fluorophenoxy)-3-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 110929763

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride?
The IUPAC name of 1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride (CID 21236718) is 1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride is OCC1CCCCN1CC(O)COc1ccc(Cl)cc1.[Cl-].
What is the InChIKey of 1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride?
The InChIKey is KMSPEGVTUUGNMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H22ClNO3.ClH/c16-12-4-6-15(7-5-12)20-11-14(19)9-17-8-2-1-3-13(17)10-18;/h4-7,13-14,18-19H,1-3,8-11H2;1H/p-1.
What are the key properties of 1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride?
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride has a molecular weight of 335.25 g/mol, XLogP of -1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride is sourced from PubChem (CID 21236718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).