N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine

C21H26N2 — CID 123700312

IUPACN-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc(N(CC2CCNCC2)C2Cc3ccccc3C2)cc1
InChIInChI=1S/C21H26N2/c1-2-8-20(9-3-1)23(16-17-10-12-22-13-11-17)21-14-18-6-4-5-7-19(18)15-21/h1-9,17,21-22H,10-16H2
InChIKeyZJZCDBYFVZXIBA-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.66
Rot. Bonds4

About N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine

N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine (PubChem CID 123700312) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine
PubChem CID123700312
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC NameN-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine
SMILESc1ccc(N(CC2CCNCC2)C2Cc3ccccc3C2)cc1
InChIInChI=1S/C21H26N2/c1-2-8-20(9-3-1)23(16-17-10-12-22-13-11-17)21-14-18-6-4-5-7-19(18)15-21/h1-9,17,21-22H,10-16H2
InChIKeyZJZCDBYFVZXIBA-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-N-(piperidin-4-ylmethyl)aniline
CID 119932268
N-(piperidin-4-ylmethyl)-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 119930879
N-phenyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-2,3-dihydro-1H-inden-2-amine
CID 134382841
[4-[N-(cyclopropylmethyl)anilino]cyclohexyl]azanium
CID 164539613
2-[N-(piperidin-4-ylmethyl)anilino]ethanol
CID 119929310
N-cyclopropyl-3-nitro-N-(piperidin-4-ylmethyl)aniline
CID 79705735
N-[(1-benzylpiperidin-2-yl)methyl]-N-phenyl-2,3-dihydro-1H-inden-2-amine
CID 22087106
N-cyclopropyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 79720212
N'-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-N'-phenylpropane-1,3-diamine
CID 67172974
N-ethyl-N-phenylazepan-4-amine
CID 112690283
1-(N-piperidin-4-ylanilino)propan-2-one
CID 15358
N-cyclohexyl-N-phenyl-2-piperidin-4-ylacetamide
CID 174812391

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine (CID 123700312) is N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine is c1ccc(N(CC2CCNCC2)C2Cc3ccccc3C2)cc1.
What is the InChIKey of N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
The InChIKey is ZJZCDBYFVZXIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2/c1-2-8-20(9-3-1)23(16-17-10-12-22-13-11-17)21-14-18-6-4-5-7-19(18)15-21/h1-9,17,21-22H,10-16H2.
What are the key properties of N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine?
N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine has a molecular weight of 306.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 123700312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).