1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol

C20H24ClNO3 — CID 21396143

IUPAC1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol
SMILESOC1CCCN(CC(O)COc2ccc(-c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C20H24ClNO3/c21-17-7-3-15(4-8-17)16-5-9-20(10-6-16)25-14-19(24)13-22-11-1-2-18(23)12-22/h3-10,18-19,23-24H,1-2,11-14H2
InChIKeyBZGNCHPTQMSBHC-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.20
Rot. Bonds6

About 1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol

1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol (PubChem CID 21396143) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is 1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol
PubChem CID21396143
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol
SMILESOC1CCCN(CC(O)COc2ccc(-c3ccc(Cl)cc3)cc2)C1
InChIInChI=1S/C20H24ClNO3/c21-17-7-3-15(4-8-17)16-5-9-20(10-6-16)25-14-19(24)13-22-11-1-2-18(23)12-22/h3-10,18-19,23-24H,1-2,11-14H2
InChIKeyBZGNCHPTQMSBHC-UHFFFAOYSA-N
XLogP3.20
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
CID 100835791
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol
CID 110877607
4-[2-hydroxy-3-(3-hydroxypiperidin-1-yl)propoxy]benzonitrile
CID 56809850
1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol
CID 4801613
1-[3-(4-chlorophenoxy)-2-hydroxypropyl]-N-methylpiperidine-3-carboxamide
CID 111113624
1-[3-[(4-aminophenoxy)methyl]piperidin-1-yl]-3-(4-chlorophenoxy)propan-2-ol
CID 142125033
1-(4-chlorophenoxy)-3-(4-cyclopentylpiperazin-1-yl)propan-2-ol
CID 110887687
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999
(3S)-1-[3-(4-bromophenoxy)-2-hydroxypropyl]pyrrolidin-3-ol
CID 111123162
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
(2S)-1-(4-chlorophenoxy)-3-(1,4-diazepan-1-yl)propan-2-ol
CID 95067055
1-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 141041922

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol?
The IUPAC name of 1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol (CID 21396143) is 1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol?
The canonical SMILES for 1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol is OC1CCCN(CC(O)COc2ccc(-c3ccc(Cl)cc3)cc2)C1.
What is the InChIKey of 1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol?
The InChIKey is BZGNCHPTQMSBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c21-17-7-3-15(4-8-17)16-5-9-20(10-6-16)25-14-19(24)13-22-11-1-2-18(23)12-22/h3-10,18-19,23-24H,1-2,11-14H2.
What are the key properties of 1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol?
1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol has a molecular weight of 361.87 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol is sourced from PubChem (CID 21396143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).