1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine

C19H28FN — CID 142103479

IUPAC1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCCN(CC3CCCCC3)C2)cc1
InChIInChI=1S/C19H28FN/c20-19-10-8-16(9-11-19)13-18-7-4-12-21(15-18)14-17-5-2-1-3-6-17/h8-11,17-18H,1-7,12-15H2
InChIKeyZBTICDQQLTWNDJ-UHFFFAOYSA-N
MW289.44 g/mol
LogP4.66
Rot. Bonds4

About 1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine

1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine (PubChem CID 142103479) has the molecular formula C19H28FN and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine
PubChem CID142103479
Molecular FormulaC19H28FN
Molecular Weight289.44 g/mol
Exact Mass289.22
IUPAC Name1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine
SMILESFc1ccc(CC2CCCN(CC3CCCCC3)C2)cc1
InChIInChI=1S/C19H28FN/c20-19-10-8-16(9-11-19)13-18-7-4-12-21(15-18)14-17-5-2-1-3-6-17/h8-11,17-18H,1-7,12-15H2
InChIKeyZBTICDQQLTWNDJ-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
CID 142001258
(2R,3S,4R)-4-fluoro-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]oxan-3-amine
CID 68654566
3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 56862084
(3R)-3-[2-(4-fluorophenyl)ethyl]-1-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]piperidine
CID 95402385
N-[(1R,3S,4R)-4-amino-3-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-N-methylacetamide
CID 59691729
[(1R,2R)-2-aminocyclohexyl]-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59102662
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
1,3-bis(cyclohexylmethyl)piperidine
CID 163123871
2-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 154807730
7-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-[(4-fluorophenyl)methyl]-8,9-dihydroxy-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 54685536
carbanide;bis(1-(cyclopentylmethyl)-4-fluorobenzene);dichlorozirconium(2+)
CID 162298590

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine?
The IUPAC name of 1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine (CID 142103479) is 1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine?
The canonical SMILES for 1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine is Fc1ccc(CC2CCCN(CC3CCCCC3)C2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine?
The InChIKey is ZBTICDQQLTWNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN/c20-19-10-8-16(9-11-19)13-18-7-4-12-21(15-18)14-17-5-2-1-3-6-17/h8-11,17-18H,1-7,12-15H2.
What are the key properties of 1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine?
1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine has a molecular weight of 289.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 142103479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).