1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol

C18H28ClNO3 — CID 111333431

IUPAC1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
SMILESCCC(O)C1CCCCN1CC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO3/c1-2-18(22)17-5-3-4-10-20(17)11-16(21)13-23-12-14-6-8-15(19)9-7-14/h6-9,16-18,21-22H,2-5,10-13H2,1H3
InChIKeyHPKUNSIWKOCOBS-UHFFFAOYSA-N
MW341.88 g/mol
LogP2.84
Rot. Bonds8

About 1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol

1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol (PubChem CID 111333431) has the molecular formula C18H28ClNO3 and a molecular weight of 341.88 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
PubChem CID111333431
Molecular FormulaC18H28ClNO3
Molecular Weight341.88 g/mol
Exact Mass341.18
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
SMILESCCC(O)C1CCCCN1CC(O)COCc1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO3/c1-2-18(22)17-5-3-4-10-20(17)11-16(21)13-23-12-14-6-8-15(19)9-7-14/h6-9,16-18,21-22H,2-5,10-13H2,1H3
InChIKeyHPKUNSIWKOCOBS-UHFFFAOYSA-N
XLogP2.84
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 2770344
1-phenylmethoxy-3-(2-propylpiperidin-1-yl)propan-2-ol
CID 83045560
(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide
CID 2560282
1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 39981125
N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 110898038
(2S)-1-[(4-chlorophenyl)methoxy]-3-[cyclohexyl(ethyl)amino]propan-2-ol
CID 2392576
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565362
(2S)-1-[bis(4-chlorophenyl)methoxy]-3-[(2R)-2-ethylpiperidin-1-yl]propan-2-ol
CID 7746013
1-[benzyl(methyl)amino]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111462643
(2S)-1-[(2R)-2-[(1S)-1-hydroxypropyl]piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 99846844
methyl 4-[[2-(1-hydroxypropyl)piperidin-1-yl]methyl]benzoate
CID 111332221

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol (CID 111333431) is 1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol is CCC(O)C1CCCCN1CC(O)COCc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol?
The InChIKey is HPKUNSIWKOCOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO3/c1-2-18(22)17-5-3-4-10-20(17)11-16(21)13-23-12-14-6-8-15(19)9-7-14/h6-9,16-18,21-22H,2-5,10-13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol has a molecular weight of 341.88 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 111333431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).