3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine

C17H27N3 — CID 81457613

IUPAC3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2ccc3c(c2)CCN3C)CCC1N
InChIInChI=1S/C17H27N3/c1-3-14-12-20(9-7-16(14)18)11-13-4-5-17-15(10-13)6-8-19(17)2/h4-5,10,14,16H,3,6-9,11-12,18H2,1-2H3
InChIKeyYMPXOXQEVHIIES-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.24
Rot. Bonds3

About 3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine

3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine (PubChem CID 81457613) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine
PubChem CID81457613
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine
SMILESCCC1CN(Cc2ccc3c(c2)CCN3C)CCC1N
InChIInChI=1S/C17H27N3/c1-3-14-12-20(9-7-16(14)18)11-13-4-5-17-15(10-13)6-8-19(17)2/h4-5,10,14,16H,3,6-9,11-12,18H2,1-2H3
InChIKeyYMPXOXQEVHIIES-UHFFFAOYSA-N
XLogP2.24
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine
CID 63250976
3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 81457034
3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81456953
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 81457375
4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792832
3-ethyl-1-[[3-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81457828
methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate
CID 81457170
3-ethyl-2-methyl-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]cyclopentan-1-amine
CID 64922905
1-(2,3-dihydro-1H-inden-5-ylmethyl)-N,3-diethylpiperidin-4-amine
CID 114507373
1-methyl-5-propyl-2,3-dihydroindole
CID 89046240
3-ethyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 81458177
3-[6-[(4-amino-3-ethylpiperidin-1-yl)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721276

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of 3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine (CID 81457613) is 3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine is CCC1CN(Cc2ccc3c(c2)CCN3C)CCC1N.
What is the InChIKey of 3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine?
The InChIKey is YMPXOXQEVHIIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-3-14-12-20(9-7-16(14)18)11-13-4-5-17-15(10-13)6-8-19(17)2/h4-5,10,14,16H,3,6-9,11-12,18H2,1-2H3.
What are the key properties of 3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine?
3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine has a molecular weight of 273.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 81457613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).