1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine

C16H32N2 — CID 117271318

IUPAC1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine
SMILESCCN1CCCC(CC2(C(C)C)CCCCN2)C1
InChIInChI=1S/C16H32N2/c1-4-18-11-7-8-15(13-18)12-16(14(2)3)9-5-6-10-17-16/h14-15,17H,4-13H2,1-3H3
InChIKeySLAIPQGOALCGEX-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds4

About 1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine

1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine (PubChem CID 117271318) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine.

Molecular Properties

Compound Name1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine
PubChem CID117271318
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine
SMILESCCN1CCCC(CC2(C(C)C)CCCCN2)C1
InChIInChI=1S/C16H32N2/c1-4-18-11-7-8-15(13-18)12-16(14(2)3)9-5-6-10-17-16/h14-15,17H,4-13H2,1-3H3
InChIKeySLAIPQGOALCGEX-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[2-(2-propan-2-ylpiperidin-2-yl)ethyl]piperidine
CID 117271670
2-(oxan-3-ylmethyl)-2-propan-2-ylpiperidine
CID 117271301
1-ethyl-3-[(2-methylpyrrolidin-2-yl)methyl]pyrrolidine
CID 117270951
2-(oxolan-3-ylmethyl)-2-propan-2-ylpiperidine
CID 117271154
1-ethyl-3-[[2-(methoxymethyl)pyrrolidin-2-yl]methyl]piperidine
CID 117271883
1-ethyl-4-[(2-methylpiperidin-2-yl)methyl]piperidine
CID 117271188
2-ethyl-2-propan-2-ylazepane
CID 79117006
2-(1-ethylpyrrolidin-3-yl)-2-methylpiperidine
CID 117271125
(3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine
CID 11789881
methyl 2-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103541
2-propan-2-yl-2-[2-(1-propan-2-ylpyrrolidin-2-yl)ethyl]piperidine
CID 117271634
2-[(1-ethylpiperidin-3-yl)methyl]-1,3-oxazolidine
CID 117225733

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine?
The IUPAC name of 1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine (CID 117271318) is 1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine.
What is the SMILES notation for 1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine?
The canonical SMILES for 1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine is CCN1CCCC(CC2(C(C)C)CCCCN2)C1.
What is the InChIKey of 1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine?
The InChIKey is SLAIPQGOALCGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-18-11-7-8-15(13-18)12-16(14(2)3)9-5-6-10-17-16/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine?
1-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine has a molecular weight of 252.45 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-ethyl-3-[(2-propan-2-ylpiperidin-2-yl)methyl]piperidine is sourced from PubChem (CID 117271318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).