1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine

C19H30N2 — CID 134324909

IUPAC1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine
SMILESCCC1CN(Cc2ccccc2)CCC1N1CCCCC1
InChIInChI=1S/C19H30N2/c1-2-18-16-20(15-17-9-5-3-6-10-17)14-11-19(18)21-12-7-4-8-13-21/h3,5-6,9-10,18-19H,2,4,7-8,11-16H2,1H3
InChIKeyMDPRFDCJOUTULK-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.77
Rot. Bonds4

About 1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine

1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine (PubChem CID 134324909) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine
PubChem CID134324909
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine
SMILESCCC1CN(Cc2ccccc2)CCC1N1CCCCC1
InChIInChI=1S/C19H30N2/c1-2-18-16-20(15-17-9-5-3-6-10-17)14-11-19(18)21-12-7-4-8-13-21/h3,5-6,9-10,18-19H,2,4,7-8,11-16H2,1H3
InChIKeyMDPRFDCJOUTULK-UHFFFAOYSA-N
XLogP3.77
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
(3R)-1-benzyl-3-ethylpiperidine-4-carbonitrile
CID 178171793
1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-benzyl-3-ethylpyrrolidine
CID 12648208
3-[(3S,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-yl]-N-(4-methoxyphenyl)propanamide
CID 126464264
1-benzyl-3-propylpyrrolidine
CID 12648211
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
1-benzyl-3-[(4-ethylphenyl)methyl]piperidin-4-ol
CID 110538160
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345
(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine (CID 134324909) is 1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine is CCC1CN(Cc2ccccc2)CCC1N1CCCCC1.
What is the InChIKey of 1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine?
The InChIKey is MDPRFDCJOUTULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-2-18-16-20(15-17-9-5-3-6-10-17)14-11-19(18)21-12-7-4-8-13-21/h3,5-6,9-10,18-19H,2,4,7-8,11-16H2,1H3.
What are the key properties of 1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine?
1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine has a molecular weight of 286.46 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-ethyl-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 134324909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).