5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole

C15H22N2 — CID 116998012

IUPAC5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1CCC1CCNCC1)CCN2
InChIInChI=1S/C15H22N2/c1(12-5-8-16-9-6-12)2-13-3-4-15-14(11-13)7-10-17-15/h3-4,11-12,16-17H,1-2,5-10H2
InChIKeyTWZOPYOVULDYPK-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.59
Rot. Bonds3

About 5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole

5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole (PubChem CID 116998012) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole
PubChem CID116998012
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole
SMILESc1cc2c(cc1CCC1CCNCC1)CCN2
InChIInChI=1S/C15H22N2/c1(12-5-8-16-9-6-12)2-13-3-4-15-14(11-13)7-10-17-15/h3-4,11-12,16-17H,1-2,5-10H2
InChIKeyTWZOPYOVULDYPK-UHFFFAOYSA-N
XLogP2.59
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydroquinoline
CID 116997911
6-(2-cyclohexylethyl)-1,2,3,4-tetrahydroquinoline
CID 114192887
6-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116925681
4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
CID 116925700
1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline
CID 62095616
4-(2-naphthalen-2-ylethyl)piperidine
CID 43146715
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
7-(2-pyrrolidin-3-ylethyl)-3,4-dihydro-2H-1,4-benzothiazine
CID 116999039
3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
CID 115105456
2-(2,3-dihydro-1H-indol-5-yl)-N,N-diethylethanamine
CID 82255784
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
5-benzyl-2,3-dihydro-1H-indole
CID 19042869

Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole (CID 116998012) is 5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole is c1cc2c(cc1CCC1CCNCC1)CCN2.
What is the InChIKey of 5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole?
The InChIKey is TWZOPYOVULDYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1(12-5-8-16-9-6-12)2-13-3-4-15-14(11-13)7-10-17-15/h3-4,11-12,16-17H,1-2,5-10H2.
What are the key properties of 5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole?
5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole has a molecular weight of 230.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-4-ylethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 116998012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).