N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine

C24H31N3 — CID 149116280

IUPACN-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1CCN(c2cccc(C3=Cc4ccccc4C3)c2)CC1
InChIInChI=1S/C24H31N3/c1-26(2)15-12-25-23-10-13-27(14-11-23)24-9-5-8-21(18-24)22-16-19-6-3-4-7-20(19)17-22/h3-9,16,18,23,25H,10-15,17H2,1-2H3
InChIKeyQYKYMJLWEYSCKP-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.90
Rot. Bonds6

About N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine

N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 149116280) has the molecular formula C24H31N3 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID149116280
Molecular FormulaC24H31N3
Molecular Weight361.53 g/mol
Exact Mass361.25
IUPAC NameN-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1CCN(c2cccc(C3=Cc4ccccc4C3)c2)CC1
InChIInChI=1S/C24H31N3/c1-26(2)15-12-25-23-10-13-27(14-11-23)24-9-5-8-21(18-24)22-16-19-6-3-4-7-20(19)17-22/h3-9,16,18,23,25H,10-15,17H2,1-2H3
InChIKeyQYKYMJLWEYSCKP-UHFFFAOYSA-N
XLogP3.90
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine (CID 149116280) is N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1CCN(c2cccc(C3=Cc4ccccc4C3)c2)CC1.
What is the InChIKey of N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is QYKYMJLWEYSCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3/c1-26(2)15-12-25-23-10-13-27(14-11-23)24-9-5-8-21(18-24)22-16-19-6-3-4-7-20(19)17-22/h3-9,16,18,23,25H,10-15,17H2,1-2H3.
What are the key properties of N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine?
N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 361.53 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1H-inden-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 149116280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).