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

C16H24ClNO2 — CID 2770344

IUPAC1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCN(CC(O)COCc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClNO2/c1-13-3-2-8-18(9-13)10-16(19)12-20-11-14-4-6-15(17)7-5-14/h4-7,13,16,19H,2-3,8-12H2,1H3
InChIKeyKKCDJKPEBVZDHO-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.95
Rot. Bonds6

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

1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol (PubChem CID 2770344) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
PubChem CID2770344
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCN(CC(O)COCc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H24ClNO2/c1-13-3-2-8-18(9-13)10-16(19)12-20-11-14-4-6-15(17)7-5-14/h4-7,13,16,19H,2-3,8-12H2,1H3
InChIKeyKKCDJKPEBVZDHO-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2R)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-3-carboxamide
CID 2560282
N-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 110898038
2-[1-[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidin-3-yl]acetamide
CID 111565362
1-(4-methylazepan-1-yl)-3-phenylmethoxypropan-2-ol
CID 62045632
(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
CID 6560044
1-[(4-chlorophenyl)methoxy]-3-[2-(1-hydroxypropyl)piperidin-1-yl]propan-2-ol
CID 111333431
1-[(2S)-3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 39981125
(2S)-1-[(4-chlorophenyl)methoxy]-3-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]propan-2-ol
CID 95332227
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350
1-(4-benzylpiperazin-1-yl)-3-[(4-chlorophenyl)methoxy]propan-2-ol dichloride
CID 21237584
1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
CID 3659665

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol (CID 2770344) is 1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol is CC1CCCN(CC(O)COCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is KKCDJKPEBVZDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-13-3-2-8-18(9-13)10-16(19)12-20-11-14-4-6-15(17)7-5-14/h4-7,13,16,19H,2-3,8-12H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol?
1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 297.83 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 2770344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).