1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane

C21H34FN — CID 142001258

IUPAC1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
SMILESCC.Fc1ccc(CC2CCN(CC3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28FN.C2H6/c20-19-8-6-16(7-9-19)14-17-10-12-21(13-11-17)15-18-4-2-1-3-5-18;1-2/h6-9,17-18H,1-5,10-15H2;1-2H3
InChIKeyCEQOQJKSZOAPKQ-UHFFFAOYSA-N
MW319.51 g/mol
LogP5.69
Rot. Bonds4

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

1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane (PubChem CID 142001258) has the molecular formula C21H34FN and a molecular weight of 319.51 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
PubChem CID142001258
Molecular FormulaC21H34FN
Molecular Weight319.51 g/mol
Exact Mass319.27
IUPAC Name1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane
SMILESCC.Fc1ccc(CC2CCN(CC3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28FN.C2H6/c20-19-8-6-16(7-9-19)14-17-10-12-21(13-11-17)15-18-4-2-1-3-5-18;1-2/h6-9,17-18H,1-5,10-15H2;1-2H3
InChIKeyCEQOQJKSZOAPKQ-UHFFFAOYSA-N
XLogP5.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.51
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclohexylmethyl)-3-[(4-fluorophenyl)methyl]piperidine
CID 142103479
4-[(4-fluorophenyl)methyl]-1-(piperidin-4-ylmethyl)piperidine;hydrochloride
CID 119931258
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
4-[(4-fluorophenyl)methyl]-1-(pyrrolidin-3-ylmethyl)piperidine
CID 54174979
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
4-benzyl-1-[[(1R)-4-ethylcyclooctyl]methyl]piperidine
CID 142080658
5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-1-methylpiperidin-2-one
CID 138810002
carbanide;bis(1-(cyclopentylmethyl)-4-fluorobenzene);dichlorozirconium(2+)
CID 162298590
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
2-[3-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 154807730
N-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
CID 51127399
methyl 2-[4-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperidin-1-yl]-5-methylbenzoate
CID 69259879

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane?
The IUPAC name of 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane (CID 142001258) is 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane?
The canonical SMILES for 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane is CC.Fc1ccc(CC2CCN(CC3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane?
The InChIKey is CEQOQJKSZOAPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN.C2H6/c20-19-8-6-16(7-9-19)14-17-10-12-21(13-11-17)15-18-4-2-1-3-5-18;1-2/h6-9,17-18H,1-5,10-15H2;1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane?
1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane has a molecular weight of 319.51 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]piperidine;ethane is sourced from PubChem (CID 142001258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).