N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine

C27H36N2 — CID 153395447

IUPACN,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine
SMILESC=C(CC)N(c1ccccc1)C1(C(=C)CC)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C27H36N2/c1-5-23(3)27(29(24(4)6-2)26-15-11-8-12-16-26)18-21-28(22-19-27)20-17-25-13-9-7-10-14-25/h7-16H,3-6,17-22H2,1-2H3
InChIKeyGKHWNEOKWMBLFD-UHFFFAOYSA-N
MW388.60 g/mol
LogP6.46
Rot. Bonds9

About N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine

N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 153395447) has the molecular formula C27H36N2 and a molecular weight of 388.60 g/mol. Its IUPAC name is N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine
PubChem CID153395447
Molecular FormulaC27H36N2
Molecular Weight388.60 g/mol
Exact Mass388.29
IUPAC NameN,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine
SMILESC=C(CC)N(c1ccccc1)C1(C(=C)CC)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C27H36N2/c1-5-23(3)27(29(24(4)6-2)26-15-11-8-12-16-26)18-21-28(22-19-27)20-17-25-13-9-7-10-14-25/h7-16H,3-6,17-22H2,1-2H3
InChIKeyGKHWNEOKWMBLFD-UHFFFAOYSA-N
XLogP6.46
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine with MolForge

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Related Compounds

methyl 1-[2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)ethyl]-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 165365203
4-(N-ethoxycarbonylanilino)-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 70610544
sodium;hydride;methyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 173002379
2-oxobutyl 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 163899623
2-methylpropane;N-[4-(oxomethyl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;yttrium
CID 153116157
methane;oxalic acid;1-(3-phenylpropyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid;hydrate
CID 173447461
N-[4-(2-methyl-1,2,4-triazol-3-yl)-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 14426363
1-(2-chloroprop-2-enyl)-4-(2-phenylethyl)piperazine
CID 47018464
3-methyl-1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylic acid
CID 70611057
(7-butoxy-4-oxoheptyl) 1-(2-phenylethyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 163569430
N-but-1-en-2-yl-N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]aniline
CID 142167405
N-phenyl-N-[1-[4-(2-phenylethyl)piperazin-1-yl]propan-2-yl]propanamide
CID 3060009

Frequently Asked Questions

What is the IUPAC name of N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine (CID 153395447) is N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine is C=C(CC)N(c1ccccc1)C1(C(=C)CC)CCN(CCc2ccccc2)CC1.
What is the InChIKey of N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is GKHWNEOKWMBLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2/c1-5-23(3)27(29(24(4)6-2)26-15-11-8-12-16-26)18-21-28(22-19-27)20-17-25-13-9-7-10-14-25/h7-16H,3-6,17-22H2,1-2H3.
What are the key properties of N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine?
N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 388.60 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(but-1-en-2-yl)-N-phenyl-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 153395447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).