1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride

C13H29ClN2 — CID 120838867

IUPAC1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(CCC(C)(C)C)CC1.Cl
InChIInChI=1S/C13H28N2.ClH/c1-13(2,3)7-10-15-8-5-12(6-9-15)11-14-4;/h12,14H,5-11H2,1-4H3;1H
InChIKeyZUBBNOGQBRGCNN-UHFFFAOYSA-N
MW248.84 g/mol
LogP2.78
Rot. Bonds4

About 1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride

1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride (PubChem CID 120838867) has the molecular formula C13H29ClN2 and a molecular weight of 248.84 g/mol. Its IUPAC name is 1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
PubChem CID120838867
Molecular FormulaC13H29ClN2
Molecular Weight248.84 g/mol
Exact Mass248.20
IUPAC Name1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(CCC(C)(C)C)CC1.Cl
InChIInChI=1S/C13H28N2.ClH/c1-13(2,3)7-10-15-8-5-12(6-9-15)11-14-4;/h12,14H,5-11H2,1-4H3;1H
InChIKeyZUBBNOGQBRGCNN-UHFFFAOYSA-N
XLogP2.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.84
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922398
2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79356027
N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119922597
1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
CID 176826648
1-[1-(aminomethyl)piperidin-4-yl]-N-methylmethanamine
CID 146320414
3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80690905
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
[1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methanol
CID 62372609
1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120966176
N-methyl-1-(1-methylpiperidin-4-yl)methanamine;molecular hydrogen
CID 142232985
methyl 2,2-dimethyl-4-[4-[2-(methylamino)ethyl]piperidin-1-yl]butanoate;hydrochloride
CID 120843527
2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496429

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride (CID 120838867) is 1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(CCC(C)(C)C)CC1.Cl.
What is the InChIKey of 1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is ZUBBNOGQBRGCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2.ClH/c1-13(2,3)7-10-15-8-5-12(6-9-15)11-14-4;/h12,14H,5-11H2,1-4H3;1H.
What are the key properties of 1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride?
1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 248.84 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 120838867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).