3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole

C18H26N2 — CID 19848863

IUPAC3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]cc(CCN3C(C)CCCC3C)c2c1
InChIInChI=1S/C18H26N2/c1-13-7-8-18-17(11-13)16(12-19-18)9-10-20-14(2)5-4-6-15(20)3/h7-8,11-12,14-15,19H,4-6,9-10H2,1-3H3
InChIKeyQYBRZKDNIVPQRL-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.28
Rot. Bonds3

About 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole

3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole (PubChem CID 19848863) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole.

Molecular Properties

Compound Name3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole
PubChem CID19848863
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole
SMILESCc1ccc2[nH]cc(CCN3C(C)CCCC3C)c2c1
InChIInChI=1S/C18H26N2/c1-13-7-8-18-17(11-13)16(12-19-18)9-10-20-14(2)5-4-6-15(20)3/h7-8,11-12,14-15,19H,4-6,9-10H2,1-3H3
InChIKeyQYBRZKDNIVPQRL-UHFFFAOYSA-N
XLogP4.28
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one
CID 139258716
5-methyl-3-(piperidin-4-ylmethyl)-1H-indole
CID 82494836
3-[2-(azetidin-1-yl)ethyl]-6-methyl-1H-indole
CID 169286723
3-(3-methoxypropyl)-5-methyl-1H-indole
CID 66596207
5-methyl-3-(pyrrolidin-3-ylmethyl)-1H-indole
CID 18965344
3-[4-(3-benzylpiperidin-1-yl)butyl]-5-methyl-1H-indole
CID 70065387
N-[2-(5-methyl-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 23815452
N-(4-hydroxycyclohexyl)-3-(5-methyl-1H-indol-3-yl)propanamide
CID 111536296
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
2-(5-methyl-1H-indol-3-yl)ethyl formate
CID 174764369
N-[2-(6-methyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82497315

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole?
The IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole (CID 19848863) is 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole.
What is the SMILES notation for 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole?
The canonical SMILES for 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole is Cc1ccc2[nH]cc(CCN3C(C)CCCC3C)c2c1.
What is the InChIKey of 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole?
The InChIKey is QYBRZKDNIVPQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-13-7-8-18-17(11-13)16(12-19-18)9-10-20-14(2)5-4-6-15(20)3/h7-8,11-12,14-15,19H,4-6,9-10H2,1-3H3.
What are the key properties of 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole?
3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole has a molecular weight of 270.42 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylpiperidin-1-yl)ethyl]-5-methyl-1H-indole is sourced from PubChem (CID 19848863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).