4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol

C14H19ClFNO — CID 11630423

IUPAC4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(c2cccc(Cl)c2F)CC1
InChIInChI=1S/C14H19ClFNO/c1-2-8-17-9-6-14(18,7-10-17)11-4-3-5-12(15)13(11)16/h3-5,18H,2,6-10H2,1H3
InChIKeyPUGYAOFCDVPBNY-UHFFFAOYSA-N
MW271.76 g/mol
LogP3.17
Rot. Bonds3

About 4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol

4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol (PubChem CID 11630423) has the molecular formula C14H19ClFNO and a molecular weight of 271.76 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol
PubChem CID11630423
Molecular FormulaC14H19ClFNO
Molecular Weight271.76 g/mol
Exact Mass271.11
IUPAC Name4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(c2cccc(Cl)c2F)CC1
InChIInChI=1S/C14H19ClFNO/c1-2-8-17-9-6-14(18,7-10-17)11-4-3-5-12(15)13(11)16/h3-5,18H,2,6-10H2,1H3
InChIKeyPUGYAOFCDVPBNY-UHFFFAOYSA-N
XLogP3.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.76
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol (CID 11630423) is 4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol is CCCN1CCC(O)(c2cccc(Cl)c2F)CC1.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol?
The InChIKey is PUGYAOFCDVPBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO/c1-2-8-17-9-6-14(18,7-10-17)11-4-3-5-12(15)13(11)16/h3-5,18H,2,6-10H2,1H3.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol?
4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol has a molecular weight of 271.76 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-1-propylpiperidin-4-ol is sourced from PubChem (CID 11630423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).