methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine

C44H70N4 — CID 167711692

IUPACmethane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine
SMILESC.CC(C)C1CCCN(c2ccccc2)C1.Cc1ccc(N2CCCC(C(C)C)C2)cn1.Cc1cccc(N2CCCC(C(C)C)C2)c1
InChIInChI=1S/C15H23N.C14H22N2.C14H21N.CH4/c1-12(2)14-7-5-9-16(11-14)15-8-4-6-13(3)10-15;1-11(2)13-5-4-8-16(10-13)14-7-6-12(3)15-9-14;1-12(2)13-7-6-10-15(11-13)14-8-4-3-5-9-14;/h4,6,8,10,12,14H,5,7,9,11H2,1-3H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;3-5,8-9,12-13H,6-7,10-11H2,1-2H3;1H4
InChIKeyZXYQYJSVOKIWFW-UHFFFAOYSA-N
MW655.07 g/mol
LogP11.32
Rot. Bonds6

About methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine

methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine (PubChem CID 167711692) has the molecular formula C44H70N4 and a molecular weight of 655.07 g/mol. Its IUPAC name is methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine.

Molecular Properties

Compound Namemethane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine
PubChem CID167711692
Molecular FormulaC44H70N4
Molecular Weight655.07 g/mol
Exact Mass654.56
IUPAC Namemethane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine
SMILESC.CC(C)C1CCCN(c2ccccc2)C1.Cc1ccc(N2CCCC(C(C)C)C2)cn1.Cc1cccc(N2CCCC(C(C)C)C2)c1
InChIInChI=1S/C15H23N.C14H22N2.C14H21N.CH4/c1-12(2)14-7-5-9-16(11-14)15-8-4-6-13(3)10-15;1-11(2)13-5-4-8-16(10-13)14-7-6-12(3)15-9-14;1-12(2)13-7-6-10-15(11-13)14-8-4-3-5-9-14;/h4,6,8,10,12,14H,5,7,9,11H2,1-3H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;3-5,8-9,12-13H,6-7,10-11H2,1-2H3;1H4
InChIKeyZXYQYJSVOKIWFW-UHFFFAOYSA-N
XLogP11.32
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.07
LogP ≤ 511.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine?
The IUPAC name of methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine (CID 167711692) is methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine.
What is the SMILES notation for methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine?
The canonical SMILES for methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine is C.CC(C)C1CCCN(c2ccccc2)C1.Cc1ccc(N2CCCC(C(C)C)C2)cn1.Cc1cccc(N2CCCC(C(C)C)C2)c1.
What is the InChIKey of methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine?
The InChIKey is ZXYQYJSVOKIWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N.C14H22N2.C14H21N.CH4/c1-12(2)14-7-5-9-16(11-14)15-8-4-6-13(3)10-15;1-11(2)13-5-4-8-16(10-13)14-7-6-12(3)15-9-14;1-12(2)13-7-6-10-15(11-13)14-8-4-3-5-9-14;/h4,6,8,10,12,14H,5,7,9,11H2,1-3H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;3-5,8-9,12-13H,6-7,10-11H2,1-2H3;1H4.
What are the key properties of methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine?
methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine has a molecular weight of 655.07 g/mol, XLogP of 11.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-(3-methylphenyl)-3-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;1-phenyl-3-propan-2-ylpiperidine is sourced from PubChem (CID 167711692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).