1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene

C31H44N2 — CID 143672715

IUPAC1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene
SMILESC=C(c1ccc(C)c(CN2CCC(C)CC2)c1)N1CCC(c2ccc(C)cc2)CC1.C=CC
InChIInChI=1S/C28H38N2.C3H6/c1-21-5-8-25(9-6-21)26-13-17-30(18-14-26)24(4)27-10-7-23(3)28(19-27)20-29-15-11-22(2)12-16-29;1-3-2/h5-10,19,22,26H,4,11-18,20H2,1-3H3;3H,1H2,2H3
InChIKeyGHCSNRCEDKFOMS-UHFFFAOYSA-N
MW444.71 g/mol
LogP7.58
Rot. Bonds5

About 1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene

1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene (PubChem CID 143672715) has the molecular formula C31H44N2 and a molecular weight of 444.71 g/mol. Its IUPAC name is 1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene.

Molecular Properties

Compound Name1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene
PubChem CID143672715
Molecular FormulaC31H44N2
Molecular Weight444.71 g/mol
Exact Mass444.35
IUPAC Name1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene
SMILESC=C(c1ccc(C)c(CN2CCC(C)CC2)c1)N1CCC(c2ccc(C)cc2)CC1.C=CC
InChIInChI=1S/C28H38N2.C3H6/c1-21-5-8-25(9-6-21)26-13-17-30(18-14-26)24(4)27-10-7-23(3)28(19-27)20-29-15-11-22(2)12-16-29;1-3-2/h5-10,19,22,26H,4,11-18,20H2,1-3H3;3H,1H2,2H3
InChIKeyGHCSNRCEDKFOMS-UHFFFAOYSA-N
XLogP7.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.71
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[1-(4-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
CID 130216383
1-[1-(4-methylphenyl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
CID 156560783
N-[5-[1-[4-[4-(aminomethyl)phenyl]piperidin-1-yl]ethenyl]-2-methylphenyl]methanesulfonamide
CID 89265421
ethane;formaldehyde;4-[1-[1-[4-methyl-3-[[methylidene-[(4-methylphenyl)methyl]-oxo-λ6-sulfanyl]amino]phenyl]ethenyl]piperidin-4-yl]benzonitrile
CID 143698923
4-fluoro-3-[(4-methylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 24701063
1-[(2,5-dimethylphenyl)methyl]pyrrolidin-3-ol
CID 24904964
4-[1-[1-(4-cyclobutyl-2-methylphenyl)ethenyl]piperidin-4-yl]benzonitrile
CID 134513386
N-[5-[1-[4-(4-cyanophenyl)piperidin-1-yl]ethenyl]-2-methylphenyl]cyclopropanecarboxamide
CID 89273037
N,N-dimethyl-5-[2-methyl-5-[1-(4-phenylpiperidin-1-yl)ethenyl]phenyl]pyridin-2-amine;formaldehyde
CID 143672794
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
4-[1-[1-[3-amino-4-(methylsulfanylmethyl)phenyl]ethenyl]piperidin-4-yl]benzonitrile
CID 89265409
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methanone
CID 25469740

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene?
The IUPAC name of 1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene (CID 143672715) is 1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene.
What is the SMILES notation for 1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene?
The canonical SMILES for 1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene is C=C(c1ccc(C)c(CN2CCC(C)CC2)c1)N1CCC(c2ccc(C)cc2)CC1.C=CC.
What is the InChIKey of 1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene?
The InChIKey is GHCSNRCEDKFOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2.C3H6/c1-21-5-8-25(9-6-21)26-13-17-30(18-14-26)24(4)27-10-7-23(3)28(19-27)20-29-15-11-22(2)12-16-29;1-3-2/h5-10,19,22,26H,4,11-18,20H2,1-3H3;3H,1H2,2H3.
What are the key properties of 1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene?
1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene has a molecular weight of 444.71 g/mol, XLogP of 7.58, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-methyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]ethenyl]-4-(4-methylphenyl)piperidine;prop-1-ene is sourced from PubChem (CID 143672715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).