1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole

C17H32N2 — CID 82749743

IUPAC1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC(CCN1CCC2CCCCC21)C1CCCNC1
InChIInChI=1S/C17H32N2/c1-14(16-6-4-10-18-13-16)8-11-19-12-9-15-5-2-3-7-17(15)19/h14-18H,2-13H2,1H3
InChIKeyJZKPQEUSCYVNHZ-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.28
Rot. Bonds4

About 1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole

1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 82749743) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID82749743
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC(CCN1CCC2CCCCC21)C1CCCNC1
InChIInChI=1S/C17H32N2/c1-14(16-6-4-10-18-13-16)8-11-19-12-9-15-5-2-3-7-17(15)19/h14-18H,2-13H2,1H3
InChIKeyJZKPQEUSCYVNHZ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole with MolForge

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Related Compounds

1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
3-methyl-4-(3-piperidin-3-ylbutyl)-1,4-thiazinane 1,1-dioxide
CID 102884232
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402
3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 81048505
(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
CID 95241605
3-(5-piperidin-4-ylhexan-2-yl)piperidine
CID 129299226
3-pentan-2-ylazepane
CID 107889859
1-(3-piperidin-3-ylbutyl)-4-(trifluoromethyl)piperidine
CID 81045481
3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine
CID 81045800
3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane
CID 81047442
N,N-dimethyl-1-(3-piperidin-3-ylbutyl)piperidin-3-amine
CID 81045799
1-[2-(azetidin-3-yl)propyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 116680176

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole (CID 82749743) is 1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole is CC(CCN1CCC2CCCCC21)C1CCCNC1.
What is the InChIKey of 1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is JZKPQEUSCYVNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-14(16-6-4-10-18-13-16)8-11-19-12-9-15-5-2-3-7-17(15)19/h14-18H,2-13H2,1H3.
What are the key properties of 1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole?
1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 264.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 82749743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).