2,3-dipropylpiperidine;ethane

C13H29N — CID 168977682

IUPAC2,3-dipropylpiperidine;ethane
SMILESCC.CCCC1CCCNC1CCC
InChIInChI=1S/C11H23N.C2H6/c1-3-6-10-8-5-9-12-11(10)7-4-2;1-2/h10-12H,3-9H2,1-2H3;1-2H3
InChIKeyWQIDNSHQQHFRCB-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds4

About 2,3-dipropylpiperidine;ethane

2,3-dipropylpiperidine;ethane (PubChem CID 168977682) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2,3-dipropylpiperidine;ethane.

Molecular Properties

Compound Name2,3-dipropylpiperidine;ethane
PubChem CID168977682
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2,3-dipropylpiperidine;ethane
SMILESCC.CCCC1CCCNC1CCC
InChIInChI=1S/C11H23N.C2H6/c1-3-6-10-8-5-9-12-11(10)7-4-2;1-2/h10-12H,3-9H2,1-2H3;1-2H3
InChIKeyWQIDNSHQQHFRCB-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-diethylpiperidine;ethane
CID 144800386
ethane;2-propylpyrrolidine
CID 143349498
(2S,3S)-2,3-diethylpiperidine
CID 89278402
ethane;(2R)-2-propylpyrrolidine
CID 155717204
2,3-diethylpiperidine;propane
CID 143653277
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
ethane;(2S)-1-ethyl-2-propylcyclohexane
CID 143012565
(2S,3S)-2-butylpiperidin-3-ol
CID 102039830
ethyl (3R)-3-propylpiperidine-2-carboxylate;molecular hydrogen
CID 144506743
(1R)-1-ethyl-2-propylcyclohexane
CID 142312859
6-butyl-7-propylazepan-2-ol
CID 71040403
N-[(3-methylpiperidin-2-yl)methyl]-N-propylpropan-1-amine
CID 107068950

Frequently Asked Questions

What is the IUPAC name of 2,3-dipropylpiperidine;ethane?
The IUPAC name of 2,3-dipropylpiperidine;ethane (CID 168977682) is 2,3-dipropylpiperidine;ethane.
What is the SMILES notation for 2,3-dipropylpiperidine;ethane?
The canonical SMILES for 2,3-dipropylpiperidine;ethane is CC.CCCC1CCCNC1CCC.
What is the InChIKey of 2,3-dipropylpiperidine;ethane?
The InChIKey is WQIDNSHQQHFRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C2H6/c1-3-6-10-8-5-9-12-11(10)7-4-2;1-2/h10-12H,3-9H2,1-2H3;1-2H3.
What are the key properties of 2,3-dipropylpiperidine;ethane?
2,3-dipropylpiperidine;ethane has a molecular weight of 199.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipropylpiperidine;ethane is sourced from PubChem (CID 168977682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).