N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine

C17H27N3 — CID 63234508

IUPACN-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CN(C)Cc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C17H27N3/c1-19-9-6-14(7-10-19)12-20(2)13-15-3-4-17-16(11-15)5-8-18-17/h3-4,11,14,18H,5-10,12-13H2,1-2H3
InChIKeyZSBZEDAIVFANHW-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.43
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine

N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 63234508) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID63234508
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CN(C)Cc2ccc3c(c2)CCN3)CC1
InChIInChI=1S/C17H27N3/c1-19-9-6-14(7-10-19)12-20(2)13-15-3-4-17-16(11-15)5-8-18-17/h3-4,11,14,18H,5-10,12-13H2,1-2H3
InChIKeyZSBZEDAIVFANHW-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine (CID 63234508) is N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine is CN1CCC(CN(C)Cc2ccc3c(c2)CCN3)CC1.
What is the InChIKey of N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is ZSBZEDAIVFANHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-9-6-14(7-10-19)12-20(2)13-15-3-4-17-16(11-15)5-8-18-17/h3-4,11,14,18H,5-10,12-13H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine?
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 273.42 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-methyl-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 63234508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).