4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol

C15H21ClFNO — CID 65146803

IUPAC4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H21ClFNO/c1-2-7-18-8-5-15(19,6-9-18)11-12-3-4-13(17)10-14(12)16/h3-4,10,19H,2,5-9,11H2,1H3
InChIKeyCKDFRYUBHMXNTE-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.26
Rot. Bonds4

About 4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol

4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol (PubChem CID 65146803) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol
PubChem CID65146803
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(Cc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C15H21ClFNO/c1-2-7-18-8-5-15(19,6-9-18)11-12-3-4-13(17)10-14(12)16/h3-4,10,19H,2,5-9,11H2,1H3
InChIKeyCKDFRYUBHMXNTE-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-bromo-5-fluorophenyl)methyl]-1-propylazepan-4-ol
CID 65153990
3-[(2-chloro-4-fluorophenyl)methyl]-1-cyclopropylpyrrolidin-3-ol
CID 65146244
4-[(4-chloro-3-fluorophenyl)methyl]-1-propylazepan-4-ol
CID 107883599
1-[(2-chloro-4-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 79853110
2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147155
3-[(2-chloro-4-fluorophenyl)methyl]-1,1-dioxothiolan-3-ol
CID 65145455
4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol
CID 114852276
1-[(2-chloro-4-fluorophenyl)methyl]-3-methoxycyclohexan-1-ol
CID 106873962
4-[(3-chlorophenyl)methyl]-1-propylazepan-4-ol
CID 65077956
3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145900
4-[(2-bromo-4-fluorophenyl)methyl]-1-methylazepan-4-ol
CID 65153879
4-[(3-bromo-2,6-difluorophenyl)methyl]-1-propylazepan-4-ol
CID 106265398

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol?
The IUPAC name of 4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol (CID 65146803) is 4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol?
The canonical SMILES for 4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol is CCCN1CCC(O)(Cc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol?
The InChIKey is CKDFRYUBHMXNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-7-18-8-5-15(19,6-9-18)11-12-3-4-13(17)10-14(12)16/h3-4,10,19H,2,5-9,11H2,1H3.
What are the key properties of 4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol?
4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol has a molecular weight of 285.79 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenyl)methyl]-1-propylpiperidin-4-ol is sourced from PubChem (CID 65146803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).