3-(piperidin-1-ylmethyl)-1H-indole

C14H18N2 — CID 21454

IUPAC3-(piperidin-1-ylmethyl)-1H-indole
SMILESc1ccc2c(CN3CCCCC3)c[nH]c2c1
InChIInChI=1S/C14H18N2/c1-4-8-16(9-5-1)11-12-10-15-14-7-3-2-6-13(12)14/h2-3,6-7,10,15H,1,4-5,8-9,11H2
InChIKeyHPKXPFRRVVWAPD-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.15
Rot. Bonds2

About 3-(piperidin-1-ylmethyl)-1H-indole

3-(piperidin-1-ylmethyl)-1H-indole (PubChem CID 21454) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)-1H-indole.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)-1H-indole
PubChem CID21454
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-(piperidin-1-ylmethyl)-1H-indole
SMILESc1ccc2c(CN3CCCCC3)c[nH]c2c1
InChIInChI=1S/C14H18N2/c1-4-8-16(9-5-1)11-12-10-15-14-7-3-2-6-13(12)14/h2-3,6-7,10,15H,1,4-5,8-9,11H2
InChIKeyHPKXPFRRVVWAPD-UHFFFAOYSA-N
XLogP3.15
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)-1H-indole?
The IUPAC name of 3-(piperidin-1-ylmethyl)-1H-indole (CID 21454) is 3-(piperidin-1-ylmethyl)-1H-indole.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)-1H-indole?
The canonical SMILES for 3-(piperidin-1-ylmethyl)-1H-indole is c1ccc2c(CN3CCCCC3)c[nH]c2c1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)-1H-indole?
The InChIKey is HPKXPFRRVVWAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-8-16(9-5-1)11-12-10-15-14-7-3-2-6-13(12)14/h2-3,6-7,10,15H,1,4-5,8-9,11H2.
What are the key properties of 3-(piperidin-1-ylmethyl)-1H-indole?
3-(piperidin-1-ylmethyl)-1H-indole has a molecular weight of 214.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)-1H-indole is sourced from PubChem (CID 21454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).