1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine

C27H30N2 — CID 70166037

IUPAC1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine
SMILESC(=Cc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C27H30N2/c1-3-7-23(8-4-1)11-12-24-13-15-25(16-14-24)21-28-27-17-19-29(20-18-27)22-26-9-5-2-6-10-26/h1-16,27-28H,17-22H2
InChIKeyTWRMQYXOGFEMRA-UHFFFAOYSA-N
MW382.55 g/mol
LogP5.61
Rot. Bonds7

About 1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine

1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine (PubChem CID 70166037) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine
PubChem CID70166037
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC Name1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine
SMILESC(=Cc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1
InChIInChI=1S/C27H30N2/c1-3-7-23(8-4-1)11-12-24-13-15-25(16-14-24)21-28-27-17-19-29(20-18-27)22-26-9-5-2-6-10-26/h1-16,27-28H,17-22H2
InChIKeyTWRMQYXOGFEMRA-UHFFFAOYSA-N
XLogP5.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-amine
CID 10177971
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-benzyl-N-[(4-phenylphenyl)methyl]azepan-4-amine;ethane
CID 142128621
1-benzyl-N-[[4-(2,2-dithiophen-2-ylethenyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 44532729
1-benzyl-N-[[2-[4-[(cyclopentylamino)methyl]phenyl]phenyl]methyl]piperidin-4-amine
CID 44534713
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
tert-butyl N-[1-[[4-[(E)-2-phenylethenyl]phenyl]methyl]piperidin-4-yl]carbamate
CID 129121860
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-benzyl-N-[(1-methylcyclopropyl)methyl]piperidin-4-amine
CID 103724488
N-[[4-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 62437838
4-[[(1-benzylpiperidin-4-yl)amino]methyl]benzene-1,3-diol
CID 83453608

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine (CID 70166037) is 1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine is C(=Cc1ccc(CNC2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1.
What is the InChIKey of 1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine?
The InChIKey is TWRMQYXOGFEMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2/c1-3-7-23(8-4-1)11-12-24-13-15-25(16-14-24)21-28-27-17-19-29(20-18-27)22-26-9-5-2-6-10-26/h1-16,27-28H,17-22H2.
What are the key properties of 1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine?
1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine has a molecular weight of 382.55 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[4-(2-phenylethenyl)phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 70166037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).