methylcyclohexane;1-phenylpiperidine

C18H29N — CID 174582589

IUPACmethylcyclohexane;1-phenylpiperidine
SMILESCC1CCCCC1.c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N.C7H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-5-3-2-4-6-7/h1,3-4,7-8H,2,5-6,9-10H2;7H,2-6H2,1H3
InChIKeyPLVYDBFJKUAXGS-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.26
Rot. Bonds1

About methylcyclohexane;1-phenylpiperidine

methylcyclohexane;1-phenylpiperidine (PubChem CID 174582589) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is methylcyclohexane;1-phenylpiperidine.

Molecular Properties

Compound Namemethylcyclohexane;1-phenylpiperidine
PubChem CID174582589
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Namemethylcyclohexane;1-phenylpiperidine
SMILESCC1CCCCC1.c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C11H15N.C7H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-5-3-2-4-6-7/h1,3-4,7-8H,2,5-6,9-10H2;7H,2-6H2,1H3
InChIKeyPLVYDBFJKUAXGS-UHFFFAOYSA-N
XLogP5.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-methyl-1-phenylpiperidine
CID 143180672
ethane;methanol;1-phenylpiperidine
CID 177175072
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CID 174570050
ethoxyethane;1-phenylpiperidine
CID 174883082
1-cycloheptyl-4-phenylpiperazine
CID 2846720
carbamic acid;1-phenylpiperidine
CID 161473217
1-phenylpiperidine;phosphenous acid
CID 174871848
4-cyclohexyl-1-phenylpiperidine;isocyanomethane
CID 91145666
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
4-phenyl-1-(4-pyrrolidin-1-ylphenyl)piperidine
CID 154349377
4-(3-methylazepan-1-yl)aniline
CID 23103826
benzoic acid;methylcyclopentane
CID 68907828

Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;1-phenylpiperidine?
The IUPAC name of methylcyclohexane;1-phenylpiperidine (CID 174582589) is methylcyclohexane;1-phenylpiperidine.
What is the SMILES notation for methylcyclohexane;1-phenylpiperidine?
The canonical SMILES for methylcyclohexane;1-phenylpiperidine is CC1CCCCC1.c1ccc(N2CCCCC2)cc1.
What is the InChIKey of methylcyclohexane;1-phenylpiperidine?
The InChIKey is PLVYDBFJKUAXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C7H14/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-7-5-3-2-4-6-7/h1,3-4,7-8H,2,5-6,9-10H2;7H,2-6H2,1H3.
What are the key properties of methylcyclohexane;1-phenylpiperidine?
methylcyclohexane;1-phenylpiperidine has a molecular weight of 259.44 g/mol, XLogP of 5.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;1-phenylpiperidine is sourced from PubChem (CID 174582589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).