N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine

C27H32N2O — CID 6488319

IUPACN,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine
SMILESCCOc1ccc(C2CN(Cc3ccccc3)CCC2NCc2ccccc2)cc1
InChIInChI=1S/C27H32N2O/c1-2-30-25-15-13-24(14-16-25)26-21-29(20-23-11-7-4-8-12-23)18-17-27(26)28-19-22-9-5-3-6-10-22/h3-16,26-28H,2,17-21H2,1H3
InChIKeyMENHDFSNXLOASS-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.23
Rot. Bonds8

About N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine

N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine (PubChem CID 6488319) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine
PubChem CID6488319
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC NameN,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine
SMILESCCOc1ccc(C2CN(Cc3ccccc3)CCC2NCc2ccccc2)cc1
InChIInChI=1S/C27H32N2O/c1-2-30-25-15-13-24(14-16-25)26-21-29(20-23-11-7-4-8-12-23)18-17-27(26)28-19-22-9-5-3-6-10-22/h3-16,26-28H,2,17-21H2,1H3
InChIKeyMENHDFSNXLOASS-UHFFFAOYSA-N
XLogP5.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 7450726
(3S,4S)-N,1-dibenzyl-3-phenylpiperidin-4-amine
CID 11905043
(3R,4R)-1-benzyl-N-[(2-chlorophenyl)methyl]-3-phenylpiperidin-4-amine
CID 7441557
(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine
CID 124813938
(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 73350587
1-benzyl-3-(4-ethoxyphenyl)-4-nitropyrrolidine
CID 134162701
(3S,4S)-N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-phenylpiperidin-4-amine
CID 124909525
1-benzyl-3-phenyl-N-(2-piperidin-1-ylethyl)piperidin-4-amine;dihydrochloride
CID 175654335
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
1-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-phenylpiperidin-4-amine
CID 6488130
(3R)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 68965269
(3S)-1-[(4-ethoxyphenyl)methyl]pyrrolidin-3-amine
CID 94339773

Frequently Asked Questions

What is the IUPAC name of N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine?
The IUPAC name of N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine (CID 6488319) is N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine.
What is the SMILES notation for N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine?
The canonical SMILES for N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine is CCOc1ccc(C2CN(Cc3ccccc3)CCC2NCc2ccccc2)cc1.
What is the InChIKey of N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine?
The InChIKey is MENHDFSNXLOASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-2-30-25-15-13-24(14-16-25)26-21-29(20-23-11-7-4-8-12-23)18-17-27(26)28-19-22-9-5-3-6-10-22/h3-16,26-28H,2,17-21H2,1H3.
What are the key properties of N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine?
N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine has a molecular weight of 400.57 g/mol, XLogP of 5.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzyl-3-(4-ethoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 6488319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).