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

C14H20N2 — CID 115103996

IUPAC4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole
SMILESc1cc(CN2CCCCC2)c2c(c1)NCC2
InChIInChI=1S/C14H20N2/c1-2-9-16(10-3-1)11-12-5-4-6-14-13(12)7-8-15-14/h4-6,15H,1-3,7-11H2
InChIKeyFHFSNCMVUWUYDS-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.64
Rot. Bonds2

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

4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole (PubChem CID 115103996) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole
PubChem CID115103996
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole
SMILESc1cc(CN2CCCCC2)c2c(c1)NCC2
InChIInChI=1S/C14H20N2/c1-2-9-16(10-3-1)11-12-5-4-6-14-13(12)7-8-15-14/h4-6,15H,1-3,7-11H2
InChIKeyFHFSNCMVUWUYDS-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(azepan-1-yl)propyl]-2,3-dihydro-1H-indole
CID 115105473
1-(azepan-1-yl)-2-(2,3-dihydro-1H-indol-4-yl)ethanone
CID 115105355
8-(azepan-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104102
2-(2,3-dihydro-1H-indol-4-yl)ethanethiol
CID 167181499
1-methyl-4-(pyrrolidin-1-ylmethyl)-2,3-dihydroindole
CID 146317920
1,2,3,4-tetrahydroquinolin-5-ylmethanamine;dihydrochloride
CID 43810457
5-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 10358078
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20825799
1-[(2-piperidin-2-ylphenyl)methyl]piperidine
CID 117400046
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole?
The IUPAC name of 4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole (CID 115103996) is 4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole is c1cc(CN2CCCCC2)c2c(c1)NCC2.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole?
The InChIKey is FHFSNCMVUWUYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-9-16(10-3-1)11-12-5-4-6-14-13(12)7-8-15-14/h4-6,15H,1-3,7-11H2.
What are the key properties of 4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole?
4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole has a molecular weight of 216.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)-2,3-dihydro-1H-indole is sourced from PubChem (CID 115103996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).