4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride

C12H17ClFNO — CID 70240549

IUPAC4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(Cc2ccc(F)cc2)CCNCC1
InChIInChI=1S/C12H16FNO.ClH/c13-11-3-1-10(2-4-11)9-12(15)5-7-14-8-6-12;/h1-4,14-15H,5-9H2;1H
InChIKeyUODQQZVHIMUSRD-UHFFFAOYSA-N
MW245.72 g/mol
LogP1.90
Rot. Bonds2

About 4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride

4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride (PubChem CID 70240549) has the molecular formula C12H17ClFNO and a molecular weight of 245.72 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride
PubChem CID70240549
Molecular FormulaC12H17ClFNO
Molecular Weight245.72 g/mol
Exact Mass245.10
IUPAC Name4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(Cc2ccc(F)cc2)CCNCC1
InChIInChI=1S/C12H16FNO.ClH/c13-11-3-1-10(2-4-11)9-12(15)5-7-14-8-6-12;/h1-4,14-15H,5-9H2;1H
InChIKeyUODQQZVHIMUSRD-UHFFFAOYSA-N
XLogP1.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.72
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride?
The IUPAC name of 4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride (CID 70240549) is 4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride is Cl.OC1(Cc2ccc(F)cc2)CCNCC1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride?
The InChIKey is UODQQZVHIMUSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.ClH/c13-11-3-1-10(2-4-11)9-12(15)5-7-14-8-6-12;/h1-4,14-15H,5-9H2;1H.
What are the key properties of 4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride?
4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride has a molecular weight of 245.72 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 70240549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).