4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate

C20H21ClNO5- — CID 22126807

IUPAC4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate
SMILESCOc1ccc(COC2CN(C(=O)[O-])CCC2(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO5/c1-26-17-8-2-14(3-9-17)13-27-18-12-22(19(23)24)11-10-20(18,25)15-4-6-16(21)7-5-15/h2-9,18,25H,10-13H2,1H3,(H,23,24)/p-1
InChIKeyLAARAUFNPCHZTI-UHFFFAOYSA-M
MW390.84 g/mol
LogP2.17
Rot. Bonds5

About 4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate

4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate (PubChem CID 22126807) has the molecular formula C20H21ClNO5- and a molecular weight of 390.84 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate
PubChem CID22126807
Molecular FormulaC20H21ClNO5-
Molecular Weight390.84 g/mol
Exact Mass390.11
IUPAC Name4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate
SMILESCOc1ccc(COC2CN(C(=O)[O-])CCC2(O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H22ClNO5/c1-26-17-8-2-14(3-9-17)13-27-18-12-22(19(23)24)11-10-20(18,25)15-4-6-16(21)7-5-15/h2-9,18,25H,10-13H2,1H3,(H,23,24)/p-1
InChIKeyLAARAUFNPCHZTI-UHFFFAOYSA-M
XLogP2.17
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.84
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 53008498
2-(4-chlorophenyl)-1-[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]ethanone;hydrochloride
CID 175137147
(3S,4R)-6-(4-chloro-2,6-difluorophenyl)-4-[(4-methoxyphenyl)methoxy]-1-oxa-6-azaspiro[2.5]octane
CID 118903988
2-[(4-chlorophenyl)methoxy]-4-methoxybenzoic acid
CID 20991387
1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one
CID 66367641
tert-butyl 4-(4-chlorophenyl)-3-ethyl-4-hydroxypiperidine-1-carboxylate
CID 66757895
2-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 43212927
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
[1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121147027
1-[3-[(4-chlorophenyl)methoxy]azetidin-1-yl]propan-1-one
CID 53034672
N-(4-chlorophenyl)-3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidine-1-carboxamide
CID 156703408
6-[(4-methoxyphenyl)methoxy]-7,7-dimethylcyclohept-3-en-1-ol
CID 162420333

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate?
The IUPAC name of 4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate (CID 22126807) is 4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for 4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for 4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate is COc1ccc(COC2CN(C(=O)[O-])CCC2(O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate?
The InChIKey is LAARAUFNPCHZTI-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H22ClNO5/c1-26-17-8-2-14(3-9-17)13-27-18-12-22(19(23)24)11-10-20(18,25)15-4-6-16(21)7-5-15/h2-9,18,25H,10-13H2,1H3,(H,23,24)/p-1.
What are the key properties of 4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate?
4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate has a molecular weight of 390.84 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-4-hydroxy-3-[(4-methoxyphenyl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 22126807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).