1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine

C26H32N2 — CID 142178188

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine
SMILESCc1ccc(-c2ccc(CNC3CCN(CC4=CCCC=C4)CC3)cc2)cc1
InChIInChI=1S/C26H32N2/c1-21-7-11-24(12-8-21)25-13-9-22(10-14-25)19-27-26-15-17-28(18-16-26)20-23-5-3-2-4-6-23/h3,5-14,26-27H,2,4,15-20H2,1H3
InChIKeyWAUQRQXTYGVZMK-UHFFFAOYSA-N
MW372.56 g/mol
LogP5.49
Rot. Bonds6

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine

1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine (PubChem CID 142178188) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine
PubChem CID142178188
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine
SMILESCc1ccc(-c2ccc(CNC3CCN(CC4=CCCC=C4)CC3)cc2)cc1
InChIInChI=1S/C26H32N2/c1-21-7-11-24(12-8-21)25-13-9-22(10-14-25)19-27-26-15-17-28(18-16-26)20-23-5-3-2-4-6-23/h3,5-14,26-27H,2,4,15-20H2,1H3
InChIKeyWAUQRQXTYGVZMK-UHFFFAOYSA-N
XLogP5.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine (CID 142178188) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine is Cc1ccc(-c2ccc(CNC3CCN(CC4=CCCC=C4)CC3)cc2)cc1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is WAUQRQXTYGVZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-21-7-11-24(12-8-21)25-13-9-22(10-14-25)19-27-26-15-17-28(18-16-26)20-23-5-3-2-4-6-23/h3,5-14,26-27H,2,4,15-20H2,1H3.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine?
1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 372.56 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-N-[[4-(4-methylphenyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 142178188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).