4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride

C18H28ClFN2 — CID 119931258

IUPAC4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
SMILESCl.Fc1ccc(CC2CCN(CC3CCNCC3)CC2)cc1
InChIInChI=1S/C18H27FN2.ClH/c19-18-3-1-15(2-4-18)13-16-7-11-21(12-8-16)14-17-5-9-20-10-6-17;/h1-4,16-17,20H,5-14H2;1H
InChIKeyJAVKZIPUQNCKGQ-UHFFFAOYSA-N
MW326.89 g/mol
LogP3.50
Rot. Bonds4

About 4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride

4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride (PubChem CID 119931258) has the molecular formula C18H28ClFN2 and a molecular weight of 326.89 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
PubChem CID119931258
Molecular FormulaC18H28ClFN2
Molecular Weight326.89 g/mol
Exact Mass326.19
IUPAC Name4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
SMILESCl.Fc1ccc(CC2CCN(CC3CCNCC3)CC2)cc1
InChIInChI=1S/C18H27FN2.ClH/c19-18-3-1-15(2-4-18)13-16-7-11-21(12-8-16)14-17-5-9-20-10-6-17;/h1-4,16-17,20H,5-14H2;1H
InChIKeyJAVKZIPUQNCKGQ-UHFFFAOYSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine
CID 54174979
1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
CID 142001258
3-[[1-(piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyridine;hydrochloride
CID 120849136
4-[[4-(fluoromethyl)phenyl]methyl]piperidine
CID 84675538
(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
CID 120847748
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride
CID 146064794
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 138810002
1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride
CID 167312057
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride?
The IUPAC name of 4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride (CID 119931258) is 4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride.
What is the SMILES notation for 4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride?
The canonical SMILES for 4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride is Cl.Fc1ccc(CC2CCN(CC3CCNCC3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride?
The InChIKey is JAVKZIPUQNCKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2.ClH/c19-18-3-1-15(2-4-18)13-16-7-11-21(12-8-16)14-17-5-9-20-10-6-17;/h1-4,16-17,20H,5-14H2;1H.
What are the key properties of 4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride?
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride is sourced from PubChem (CID 119931258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).