1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride

C17H27Cl2FN2 — CID 167312057

IUPAC1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride
SMILESCl.Cl.Fc1ccc(CN2CCC(C3CCNCC3)CC2)cc1
InChIInChI=1S/C17H25FN2.2ClH/c18-17-3-1-14(2-4-17)13-20-11-7-16(8-12-20)15-5-9-19-10-6-15;;/h1-4,15-16,19H,5-13H2;2*1H
InChIKeyVEABDGHRVOBDCE-UHFFFAOYSA-N
MW349.32 g/mol
LogP3.88
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride

1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride (PubChem CID 167312057) has the molecular formula C17H27Cl2FN2 and a molecular weight of 349.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride
PubChem CID167312057
Molecular FormulaC17H27Cl2FN2
Molecular Weight349.32 g/mol
Exact Mass348.15
IUPAC Name1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride
SMILESCl.Cl.Fc1ccc(CN2CCC(C3CCNCC3)CC2)cc1
InChIInChI=1S/C17H25FN2.2ClH/c18-17-3-1-14(2-4-17)13-20-11-7-16(8-12-20)15-5-9-19-10-6-15;;/h1-4,15-16,19H,5-13H2;2*1H
InChIKeyVEABDGHRVOBDCE-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexyl-1-[(4-fluorophenyl)methyl]piperidine
CID 174420466
4-[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]piperidine
CID 95557007
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
5-[(4-piperidin-4-ylpiperidin-1-yl)methyl]pyrimidine;dihydrochloride
CID 155940752
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[(4-fluorophenyl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 53422149
N,N-diethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 168961754
4-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine;dihydrochloride
CID 146064794
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
1-[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]ethyl]azepane
CID 110826346
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
(4aS,8aR)-6-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one;dihydrochloride
CID 154885326

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride (CID 167312057) is 1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride is Cl.Cl.Fc1ccc(CN2CCC(C3CCNCC3)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride?
The InChIKey is VEABDGHRVOBDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2.2ClH/c18-17-3-1-14(2-4-17)13-20-11-7-16(8-12-20)15-5-9-19-10-6-15;;/h1-4,15-16,19H,5-13H2;2*1H.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride?
1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride has a molecular weight of 349.32 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-piperidin-4-ylpiperidine;dihydrochloride is sourced from PubChem (CID 167312057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).