N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine

C28H32N2 — CID 22087106

IUPACN-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc(CN2CCCCC2CN(c2ccccc2)C2Cc3ccccc3C2)cc1
InChIInChI=1S/C28H32N2/c1-3-11-23(12-4-1)21-29-18-10-9-17-27(29)22-30(26-15-5-2-6-16-26)28-19-24-13-7-8-14-25(24)20-28/h1-8,11-16,27-28H,9-10,17-22H2
InChIKeyGAZJWGQNTJHXJU-UHFFFAOYSA-N
MW396.58 g/mol
LogP5.72
Rot. Bonds6

About N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine

N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine (PubChem CID 22087106) has the molecular formula C28H32N2 and a molecular weight of 396.58 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine
PubChem CID22087106
Molecular FormulaC28H32N2
Molecular Weight396.58 g/mol
Exact Mass396.26
IUPAC NameN-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc(CN2CCCCC2CN(c2ccccc2)C2Cc3ccccc3C2)cc1
InChIInChI=1S/C28H32N2/c1-3-11-23(12-4-1)21-29-18-10-9-17-27(29)22-30(26-15-5-2-6-16-26)28-19-24-13-7-8-14-25(24)20-28/h1-8,11-16,27-28H,9-10,17-22H2
InChIKeyGAZJWGQNTJHXJU-UHFFFAOYSA-N
XLogP5.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine with MolForge

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Related Compounds

sodium;azanide;1-benzyl-2-(chloromethyl)piperidine;N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-2,3-dihydro-1H-inden-2-amine;N-phenyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 159827897
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
CID 96552846
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol
CID 66565065
N-[2-(1-benzyl-3-methylazetidin-2-yl)ethyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine
CID 123465142

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine (CID 22087106) is N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine is c1ccc(CN2CCCCC2CN(c2ccccc2)C2Cc3ccccc3C2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine?
The InChIKey is GAZJWGQNTJHXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2/c1-3-11-23(12-4-1)21-29-18-10-9-17-27(29)22-30(26-15-5-2-6-16-26)28-19-24-13-7-8-14-25(24)20-28/h1-8,11-16,27-28H,9-10,17-22H2.
What are the key properties of N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine?
N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine has a molecular weight of 396.58 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 22087106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).