3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride

C17H24Cl2FN3 — CID 146065255

IUPAC3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride
SMILESCc1cnc(CC2CCCNC2)n1Cc1ccc(F)cc1.Cl.Cl
InChIInChI=1S/C17H22FN3.2ClH/c1-13-10-20-17(9-15-3-2-8-19-11-15)21(13)12-14-4-6-16(18)7-5-14;;/h4-7,10,15,19H,2-3,8-9,11-12H2,1H3;2*1H
InChIKeyPZCGWVOBFJGKAO-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.76
Rot. Bonds4

About 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride

3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride (PubChem CID 146065255) has the molecular formula C17H24Cl2FN3 and a molecular weight of 360.30 g/mol. Its IUPAC name is 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride.

Molecular Properties

Compound Name3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride
PubChem CID146065255
Molecular FormulaC17H24Cl2FN3
Molecular Weight360.30 g/mol
Exact Mass359.13
IUPAC Name3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride
SMILESCc1cnc(CC2CCCNC2)n1Cc1ccc(F)cc1.Cl.Cl
InChIInChI=1S/C17H22FN3.2ClH/c1-13-10-20-17(9-15-3-2-8-19-11-15)21(13)12-14-4-6-16(18)7-5-14;;/h4-7,10,15,19H,2-3,8-9,11-12H2,1H3;2*1H
InChIKeyPZCGWVOBFJGKAO-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-benzyl-5-methylimidazol-2-yl)methyl]piperidine
CID 176515378
N-tert-butyl-3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine-1-carboxamide
CID 91923917
3-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 126844820
1-ethyl-6-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689623
4-[5-methyl-1-(piperidin-3-ylmethyl)imidazol-2-yl]pyridine
CID 90488017
1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole
CID 90488069
6-fluoro-2-(piperidin-3-ylmethyl)-1-propylbenzimidazole
CID 62689624
3-methyl-6-(piperidin-3-ylmethyl)quinoline
CID 116997414
2-(4-fluorophenyl)-5-(piperidin-3-ylmethyl)pyrazine
CID 110270443
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
2-bromo-5-[[(3S)-piperidin-3-yl]methyl]pyridine
CID 130804072
5-fluoro-N-(5-fluoro-2-pyridinyl)-4-[[(3R)-piperidin-3-yl]methyl]pyrimidin-2-amine
CID 124988269

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride?
The IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride (CID 146065255) is 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride.
What is the SMILES notation for 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride?
The canonical SMILES for 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride is Cc1cnc(CC2CCCNC2)n1Cc1ccc(F)cc1.Cl.Cl.
What is the InChIKey of 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride?
The InChIKey is PZCGWVOBFJGKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3.2ClH/c1-13-10-20-17(9-15-3-2-8-19-11-15)21(13)12-14-4-6-16(18)7-5-14;;/h4-7,10,15,19H,2-3,8-9,11-12H2,1H3;2*1H.
What are the key properties of 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride?
3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride has a molecular weight of 360.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]methyl]piperidine;dihydrochloride is sourced from PubChem (CID 146065255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).