2,3-diethylpiperidine;propane

C12H27N — CID 143653277

IUPAC2,3-diethylpiperidine;propane
SMILESCCC.CCC1CCCNC1CC
InChIInChI=1S/C9H19N.C3H8/c1-3-8-6-5-7-10-9(8)4-2;1-3-2/h8-10H,3-7H2,1-2H3;3H2,1-2H3
InChIKeyWKCVXGGICPPUHQ-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds2

About 2,3-diethylpiperidine;propane

2,3-diethylpiperidine;propane (PubChem CID 143653277) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2,3-diethylpiperidine;propane.

Molecular Properties

Compound Name2,3-diethylpiperidine;propane
PubChem CID143653277
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2,3-diethylpiperidine;propane
SMILESCCC.CCC1CCCNC1CC
InChIInChI=1S/C9H19N.C3H8/c1-3-8-6-5-7-10-9(8)4-2;1-3-2/h8-10H,3-7H2,1-2H3;3H2,1-2H3
InChIKeyWKCVXGGICPPUHQ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3S)-2,3-diethylpiperidine
CID 89278402
2,3-diethylpiperidine;ethane
CID 144800386
2,3-diethylpyrrolidine;molecular hydrogen
CID 178039705
N-[(2-ethylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343585
N-[(3-ethylpiperidin-2-yl)methyl]acetamide
CID 82734521
2-ethylpiperidin-3-ol;hydrochloride
CID 115013101
1-cyclopropyl-N-[(3-ethylpiperidin-2-yl)methyl]methanesulfonamide
CID 82734181
2,3-dipropylpiperidine;ethane
CID 168977682
N-[(3-ethylpiperidin-2-yl)methyl]-2-methylpropane-2-sulfonamide
CID 82735476
1-cyclohexyl-N-[(3-ethylpiperidin-2-yl)methyl]methanesulfonamide
CID 82734539
ethyl N-[(3-ethylpiperidin-2-yl)methyl]carbamate
CID 82734865
(2R,3S)-2-ethyl-3-(trifluoromethyl)piperidine
CID 166825155

Frequently Asked Questions

What is the IUPAC name of 2,3-diethylpiperidine;propane?
The IUPAC name of 2,3-diethylpiperidine;propane (CID 143653277) is 2,3-diethylpiperidine;propane.
What is the SMILES notation for 2,3-diethylpiperidine;propane?
The canonical SMILES for 2,3-diethylpiperidine;propane is CCC.CCC1CCCNC1CC.
What is the InChIKey of 2,3-diethylpiperidine;propane?
The InChIKey is WKCVXGGICPPUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C3H8/c1-3-8-6-5-7-10-9(8)4-2;1-3-2/h8-10H,3-7H2,1-2H3;3H2,1-2H3.
What are the key properties of 2,3-diethylpiperidine;propane?
2,3-diethylpiperidine;propane has a molecular weight of 185.35 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethylpiperidine;propane is sourced from PubChem (CID 143653277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).