1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine

C18H27N3 — CID 63596895

IUPAC1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine
SMILESCCn1cc(CN2CCC(C(C)N)CC2)c2ccccc21
InChIInChI=1S/C18H27N3/c1-3-21-13-16(17-6-4-5-7-18(17)21)12-20-10-8-15(9-11-20)14(2)19/h4-7,13-15H,3,8-12,19H2,1-2H3
InChIKeyZLNXRGINCAOFQZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.22
Rot. Bonds4

About 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine

1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine (PubChem CID 63596895) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine
PubChem CID63596895
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine
SMILESCCn1cc(CN2CCC(C(C)N)CC2)c2ccccc21
InChIInChI=1S/C18H27N3/c1-3-21-13-16(17-6-4-5-7-18(17)21)12-20-10-8-15(9-11-20)14(2)19/h4-7,13-15H,3,8-12,19H2,1-2H3
InChIKeyZLNXRGINCAOFQZ-UHFFFAOYSA-N
XLogP3.22
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975700
1-[1-[(1-methylindol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63597240
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62068055
[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311556
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
1-ethyl-3-[(3-methylpiperazin-1-yl)methyl]indole
CID 65418728
2-(1-ethylindol-3-yl)-2-(1-ethylpiperidin-4-yl)ethanamine
CID 83976864
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61203945
1-[1-[(2-methylquinolin-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920625
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630234
2-[1-[(1-ethylindol-3-yl)methyl]azetidin-3-yl]acetic acid
CID 65069282
1-[(1-ethylindol-3-yl)methyl]-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 53117852

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine (CID 63596895) is 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine is CCn1cc(CN2CCC(C(C)N)CC2)c2ccccc21.
What is the InChIKey of 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine?
The InChIKey is ZLNXRGINCAOFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-21-13-16(17-6-4-5-7-18(17)21)12-20-10-8-15(9-11-20)14(2)19/h4-7,13-15H,3,8-12,19H2,1-2H3.
What are the key properties of 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine?
1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-ethylindol-3-yl)methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 63596895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).