N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline

C27H32N2O — CID 54330265

IUPACN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline
SMILESc1ccc(COc2ccc(NCCC3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C27H32N2O/c1-3-7-24(8-4-1)21-29-19-16-23(17-20-29)15-18-28-26-11-13-27(14-12-26)30-22-25-9-5-2-6-10-25/h1-14,23,28H,15-22H2
InChIKeySXVRBYNLMICEDG-UHFFFAOYSA-N
MW400.57 g/mol
LogP5.98
Rot. Bonds9

About N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline (PubChem CID 54330265) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline.

Molecular Properties

Compound NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline
PubChem CID54330265
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC NameN-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline
SMILESc1ccc(COc2ccc(NCCC3CCN(Cc4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C27H32N2O/c1-3-7-24(8-4-1)21-29-19-16-23(17-20-29)15-18-28-26-11-13-27(14-12-26)30-22-25-9-5-2-6-10-25/h1-14,23,28H,15-22H2
InChIKeySXVRBYNLMICEDG-UHFFFAOYSA-N
XLogP5.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanamine;hydrochloride
CID 119922484
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922021
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
N-benzyl-2-(1-benzylpiperidin-4-yl)ethanamine;hydrochloride
CID 14096838
1-benzyl-N-(4-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 43922210
1-benzyl-N-(cyclohexylmethyl)-N-(4-phenylmethoxyphenyl)piperidin-4-amine
CID 21191023
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenoxybenzamide
CID 14851781
1-[(2-chlorophenyl)methyl]-N-(4-phenylmethoxyphenyl)piperidine-4-carboxamide
CID 45014267
1-(9H-fluoren-9-yl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 72547693
3-[2-(1-benzylpiperidin-4-yl)ethylamino]-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione
CID 11646798

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline?
The IUPAC name of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline (CID 54330265) is N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline.
What is the SMILES notation for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline?
The canonical SMILES for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline is c1ccc(COc2ccc(NCCC3CCN(Cc4ccccc4)CC3)cc2)cc1.
What is the InChIKey of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline?
The InChIKey is SXVRBYNLMICEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O/c1-3-7-24(8-4-1)21-29-19-16-23(17-20-29)15-18-28-26-11-13-27(14-12-26)30-22-25-9-5-2-6-10-25/h1-14,23,28H,15-22H2.
What are the key properties of N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline?
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline has a molecular weight of 400.57 g/mol, XLogP of 5.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylmethoxyaniline is sourced from PubChem (CID 54330265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).