N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine

C18H27N3 — CID 102914153

IUPACN-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine
SMILESCCNCc1cccc2ccn(CCN3CCCCC3)c12
InChIInChI=1S/C18H27N3/c1-2-19-15-17-8-6-7-16-9-12-21(18(16)17)14-13-20-10-4-3-5-11-20/h6-9,12,19H,2-5,10-11,13-15H2,1H3
InChIKeyZZPBZUCXRCXXFU-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.24
Rot. Bonds6

About N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine

N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine (PubChem CID 102914153) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine
PubChem CID102914153
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine
SMILESCCNCc1cccc2ccn(CCN3CCCCC3)c12
InChIInChI=1S/C18H27N3/c1-2-19-15-17-8-6-7-16-9-12-21(18(16)17)14-13-20-10-4-3-5-11-20/h6-9,12,19H,2-5,10-11,13-15H2,1H3
InChIKeyZZPBZUCXRCXXFU-UHFFFAOYSA-N
XLogP3.24
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine (CID 102914153) is N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine is CCNCc1cccc2ccn(CCN3CCCCC3)c12.
What is the InChIKey of N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine?
The InChIKey is ZZPBZUCXRCXXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-19-15-17-8-6-7-16-9-12-21(18(16)17)14-13-20-10-4-3-5-11-20/h6-9,12,19H,2-5,10-11,13-15H2,1H3.
What are the key properties of N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine?
N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine has a molecular weight of 285.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine is sourced from PubChem (CID 102914153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).