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

C16H24ClNO3 — CID 4801613

IUPAC1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol
SMILESCC(OCC(O)CN1CCCC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO3/c1-12(13-4-6-14(17)7-5-13)21-11-16(20)10-18-8-2-3-15(19)9-18/h4-7,12,15-16,19-20H,2-3,8-11H2,1H3
InChIKeyCUXCKSIMWNVHKG-UHFFFAOYSA-N
MW313.82 g/mol
LogP2.24
Rot. Bonds6

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

1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol (PubChem CID 4801613) has the molecular formula C16H24ClNO3 and a molecular weight of 313.82 g/mol. Its IUPAC name is 1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol
PubChem CID4801613
Molecular FormulaC16H24ClNO3
Molecular Weight313.82 g/mol
Exact Mass313.14
IUPAC Name1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol
SMILESCC(OCC(O)CN1CCCC(O)C1)c1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO3/c1-12(13-4-6-14(17)7-5-13)21-11-16(20)10-18-8-2-3-15(19)9-18/h4-7,12,15-16,19-20H,2-3,8-11H2,1H3
InChIKeyCUXCKSIMWNVHKG-UHFFFAOYSA-N
XLogP2.24
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.82
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chlorophenyl)ethoxy]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 110891581
1-[1-(4-chlorophenyl)ethoxy]-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 110882740
1-[3-[4-(4-chlorophenyl)phenoxy]-2-hydroxypropyl]piperidin-3-ol
CID 21396143
(2R)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]propan-2-ol
CID 26917919
(3S)-1-(2-hydroxy-3-methoxypropyl)piperidin-3-ol
CID 107226168
(3R)-1-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]piperidin-3-ol
CID 100835791
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-piperidin-1-ylpropan-2-ol
CID 2321616
1-[3-(4-tert-butylphenoxy)-2-hydroxypropyl]piperidin-3-ol
CID 110877607
(2S)-1-[(1S)-1-(4-chlorophenyl)ethoxy]-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-2-ol
CID 7872753
(2R)-1-[(1R)-1-(4-chlorophenyl)ethoxy]-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol
CID 32972607
1-[1-(4-chlorophenyl)ethoxy]-3-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]propan-2-ol
CID 166183844
1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 2770344

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol?
The IUPAC name of 1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol (CID 4801613) is 1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol.
What is the SMILES notation for 1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol?
The canonical SMILES for 1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol is CC(OCC(O)CN1CCCC(O)C1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol?
The InChIKey is CUXCKSIMWNVHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO3/c1-12(13-4-6-14(17)7-5-13)21-11-16(20)10-18-8-2-3-15(19)9-18/h4-7,12,15-16,19-20H,2-3,8-11H2,1H3.
What are the key properties of 1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol?
1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol has a molecular weight of 313.82 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-chlorophenyl)ethoxy]-2-hydroxypropyl]piperidin-3-ol is sourced from PubChem (CID 4801613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).