[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol

C21H26ClNO2 — CID 25305426

IUPAC[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
SMILESOC[C@@]1(CCOc2ccccc2)CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H26ClNO2/c22-19-9-7-18(8-10-19)15-23-13-4-11-21(16-23,17-24)12-14-25-20-5-2-1-3-6-20/h1-3,5-10,24H,4,11-17H2/t21-/m1/s1
InChIKeyQRKYNFWSJPMMNX-OAQYLSRUSA-N
MW359.90 g/mol
LogP4.38
Rot. Bonds7

About [(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol

[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol (PubChem CID 25305426) has the molecular formula C21H26ClNO2 and a molecular weight of 359.90 g/mol. Its IUPAC name is [(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
PubChem CID25305426
Molecular FormulaC21H26ClNO2
Molecular Weight359.90 g/mol
Exact Mass359.17
IUPAC Name[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
SMILESOC[C@@]1(CCOc2ccccc2)CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H26ClNO2/c22-19-9-7-18(8-10-19)15-23-13-4-11-21(16-23,17-24)12-14-25-20-5-2-1-3-6-20/h1-3,5-10,24H,4,11-17H2/t21-/m1/s1
InChIKeyQRKYNFWSJPMMNX-OAQYLSRUSA-N
XLogP4.38
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25479565
[(3R)-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 25479616
4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 97131766
[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72882518
2-[4-[[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methyl]phenyl]acetic acid
CID 97131526
[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 45230798
[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol
CID 26326398
[3-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methanol
CID 72912581
2-(3-chlorophenyl)-1-[(3R)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 26407540
2-[4-[[(3S)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 97130334
2-[4-[[(3R)-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 97130335
[(3R)-3-(2-methoxyethyl)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methanol
CID 97134898

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol (CID 25305426) is [(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol is OC[C@@]1(CCOc2ccccc2)CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of [(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
The InChIKey is QRKYNFWSJPMMNX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26ClNO2/c22-19-9-7-18(8-10-19)15-23-13-4-11-21(16-23,17-24)12-14-25-20-5-2-1-3-6-20/h1-3,5-10,24H,4,11-17H2/t21-/m1/s1.
What are the key properties of [(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol?
[(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol has a molecular weight of 359.90 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(4-chlorophenyl)methyl]-3-(2-phenoxyethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 25305426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).