4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride

C11H26Cl2N2 — CID 86633674

IUPAC4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride
SMILESCCCCC1(N(C)C)CCNCC1.Cl.Cl
InChIInChI=1S/C11H24N2.2ClH/c1-4-5-6-11(13(2)3)7-9-12-10-8-11;;/h12H,4-10H2,1-3H3;2*1H
InChIKeyNIMDOOVAVKGOED-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.70
Rot. Bonds4

About 4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride

4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride (PubChem CID 86633674) has the molecular formula C11H26Cl2N2 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride
PubChem CID86633674
Molecular FormulaC11H26Cl2N2
Molecular Weight257.25 g/mol
Exact Mass256.15
IUPAC Name4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride
SMILESCCCCC1(N(C)C)CCNCC1.Cl.Cl
InChIInChI=1S/C11H24N2.2ClH/c1-4-5-6-11(13(2)3)7-9-12-10-8-11;;/h12H,4-10H2,1-3H3;2*1H
InChIKeyNIMDOOVAVKGOED-UHFFFAOYSA-N
XLogP2.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-N,N-dimethylcyclohexan-1-amine
CID 21197213
3-butyl-N,N-dimethyloxetan-3-amine
CID 167242715
3-butyl-3-fluoropyrrolidine
CID 112564219
N,N,4-trimethylpiperidin-4-amine;dihydrochloride
CID 57481577
1-butyl-N-methyl-N-oxidocyclohexan-1-amine
CID 122611001
N-ethyl-N-methyl-4-propylpiperidine-4-carboxamide
CID 63127606
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-propylpiperidine-4-carboxamide
CID 83112493
(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
CID 171834249
(3-butylpyrrolidin-3-yl)methanol
CID 66059430
4,4-diethylpiperidine;hydrochloride
CID 75419509
4-[[[butyl(methyl)sulfamoyl]amino]methyl]-4-methylpiperidine;hydrochloride
CID 120720412
4-hexylidenepiperidine;hydrochloride
CID 18963728

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride?
The IUPAC name of 4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride (CID 86633674) is 4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for 4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for 4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride is CCCCC1(N(C)C)CCNCC1.Cl.Cl.
What is the InChIKey of 4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride?
The InChIKey is NIMDOOVAVKGOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.2ClH/c1-4-5-6-11(13(2)3)7-9-12-10-8-11;;/h12H,4-10H2,1-3H3;2*1H.
What are the key properties of 4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride?
4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride has a molecular weight of 257.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N,N-dimethylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 86633674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).