1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol

C13H17ClFNO — CID 103887242

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C13H17ClFNO/c1-13(17)5-2-6-16(9-13)8-10-3-4-11(14)12(15)7-10/h3-4,7,17H,2,5-6,8-9H2,1H3
InChIKeyNEVBCJANYHZXNN-UHFFFAOYSA-N
MW257.74 g/mol
LogP2.83
Rot. Bonds2

About 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol

1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol (PubChem CID 103887242) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol
PubChem CID103887242
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol
SMILESCC1(O)CCCN(Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C13H17ClFNO/c1-13(17)5-2-6-16(9-13)8-10-3-4-11(14)12(15)7-10/h3-4,7,17H,2,5-6,8-9H2,1H3
InChIKeyNEVBCJANYHZXNN-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylazetidin-3-ol
CID 107886027
1-[(4-chloro-3-nitrophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873581
3-methyl-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 115874101
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
3-methyl-1-(pyridin-4-ylmethyl)piperidin-3-ol
CID 70987405
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115883312
(5R)-2-[(4-chloro-3-fluorophenyl)methyl]-N,N-dimethyl-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97482624
2-[4-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]phenyl]acetohydrazide
CID 105352110
2-fluoro-5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]benzonitrile
CID 103758584
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
CID 63137019

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol (CID 103887242) is 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol is CC1(O)CCCN(Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol?
The InChIKey is NEVBCJANYHZXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-13(17)5-2-6-16(9-13)8-10-3-4-11(14)12(15)7-10/h3-4,7,17H,2,5-6,8-9H2,1H3.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol?
1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol has a molecular weight of 257.74 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 103887242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).