ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine

C19H32N2 — CID 165124914

IUPACethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine
SMILESC1=CCNCC1.CC.CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C12H17N.C5H9N.C2H6/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-4-6-5-3-1;1-2/h2-6,12H,7-10H2,1H3;1-2,6H,3-5H2;1-2H3
InChIKeyYZYBBRNJPSEBLB-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.06
Rot. Bonds1

About ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine

ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine (PubChem CID 165124914) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Nameethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine
PubChem CID165124914
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Nameethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine
SMILESC1=CCNCC1.CC.CN1CCC(c2ccccc2)CC1
InChIInChI=1S/C12H17N.C5H9N.C2H6/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-4-6-5-3-1;1-2/h2-6,12H,7-10H2,1H3;1-2,6H,3-5H2;1-2H3
InChIKeyYZYBBRNJPSEBLB-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine
CID 165125144
ethanethiol;1-methyl-4-phenylpiperidine
CID 142821268
4-[3-(azetidin-3-yl)phenyl]-1-methylpiperidine
CID 116988876
1-methyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 43215929
(1-methylpiperidin-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 91806523
methanamine;4-phenylpiperidine
CID 143444696
1-methyl-3-phenylpyrrolidine;oxalic acid
CID 46907274
CID 145001791
CID 145001791
ethane;3-phenylpyrrolidine
CID 91032726
4-phenyl-1-(2-piperidin-4-ylethyl)piperidine
CID 68767972
1-bromo-4-phenylpiperidine
CID 89020756
4-phenylpiperidine;sulfane;hydrochloride
CID 174499697

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine?
The IUPAC name of ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine (CID 165124914) is ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine.
What is the SMILES notation for ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine?
The canonical SMILES for ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine is C1=CCNCC1.CC.CN1CCC(c2ccccc2)CC1.
What is the InChIKey of ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine?
The InChIKey is YZYBBRNJPSEBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C5H9N.C2H6/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11;1-2-4-6-5-3-1;1-2/h2-6,12H,7-10H2,1H3;1-2,6H,3-5H2;1-2H3.
What are the key properties of ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine?
ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine has a molecular weight of 288.48 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-phenylpiperidine;1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 165124914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).