N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine

C25H36N2 — CID 24988040

IUPACN-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)N(CCC1CCCCN1C)Cc1ccccc1
InChIInChI=1S/C25H36N2/c1-22(16-17-23-11-5-3-6-12-23)27(21-24-13-7-4-8-14-24)20-18-25-15-9-10-19-26(25)2/h3-8,11-14,22,25H,9-10,15-21H2,1-2H3
InChIKeyPPORZIMHUJYOCF-UHFFFAOYSA-N
MW364.58 g/mol
LogP5.38
Rot. Bonds9

About N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine

N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine (PubChem CID 24988040) has the molecular formula C25H36N2 and a molecular weight of 364.58 g/mol. Its IUPAC name is N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine.

Molecular Properties

Compound NameN-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine
PubChem CID24988040
Molecular FormulaC25H36N2
Molecular Weight364.58 g/mol
Exact Mass364.29
IUPAC NameN-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine
SMILESCC(CCc1ccccc1)N(CCC1CCCCN1C)Cc1ccccc1
InChIInChI=1S/C25H36N2/c1-22(16-17-23-11-5-3-6-12-23)27(21-24-13-7-4-8-14-24)20-18-25-15-9-10-19-26(25)2/h3-8,11-14,22,25H,9-10,15-21H2,1-2H3
InChIKeyPPORZIMHUJYOCF-UHFFFAOYSA-N
XLogP5.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
N-benzyl-4-[4-(2-fluorocyclohexyl)phenyl]-N-propylbutan-2-amine
CID 70243837
N-benzyl-N-[(2,6-dichlorophenyl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine
CID 10270921
2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
CID 60838965
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 107911250
1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
CID 57497614
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
N-benzyl-4-[4-(3-fluorocyclopentyl)phenyl]-N-propylbutan-2-amine
CID 70242088
4-[4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]butan-2-ol
CID 107912801
N'-benzyl-N'-methyl-N-[(1-methylpiperidin-2-yl)methyl]propane-1,3-diamine
CID 62654308
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine?
The IUPAC name of N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine (CID 24988040) is N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine.
What is the SMILES notation for N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine?
The canonical SMILES for N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine is CC(CCc1ccccc1)N(CCC1CCCCN1C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine?
The InChIKey is PPORZIMHUJYOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2/c1-22(16-17-23-11-5-3-6-12-23)27(21-24-13-7-4-8-14-24)20-18-25-15-9-10-19-26(25)2/h3-8,11-14,22,25H,9-10,15-21H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine?
N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine has a molecular weight of 364.58 g/mol, XLogP of 5.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-4-phenylbutan-2-amine is sourced from PubChem (CID 24988040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).