3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole

C17H24N2 — CID 168941514

IUPAC3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole
SMILESCCCc1cccc2c(C3CCCN(C)C3)c[nH]c12
InChIInChI=1S/C17H24N2/c1-3-6-13-7-4-9-15-16(11-18-17(13)15)14-8-5-10-19(2)12-14/h4,7,9,11,14,18H,3,5-6,8,10,12H2,1-2H3
InChIKeyAYEGSFSUNAMACQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.93
Rot. Bonds3

About 3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole

3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole (PubChem CID 168941514) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole
PubChem CID168941514
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole
SMILESCCCc1cccc2c(C3CCCN(C)C3)c[nH]c12
InChIInChI=1S/C17H24N2/c1-3-6-13-7-4-9-15-16(11-18-17(13)15)14-8-5-10-19(2)12-14/h4,7,9,11,14,18H,3,5-6,8,10,12H2,1-2H3
InChIKeyAYEGSFSUNAMACQ-UHFFFAOYSA-N
XLogP3.93
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole?
The IUPAC name of 3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole (CID 168941514) is 3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole is CCCc1cccc2c(C3CCCN(C)C3)c[nH]c12.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole?
The InChIKey is AYEGSFSUNAMACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-6-13-7-4-9-15-16(11-18-17(13)15)14-8-5-10-19(2)12-14/h4,7,9,11,14,18H,3,5-6,8,10,12H2,1-2H3.
What are the key properties of 3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole?
3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole has a molecular weight of 256.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-3-yl)-7-propyl-1H-indole is sourced from PubChem (CID 168941514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).