1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C12H22BrClN4 — CID 120847118

IUPAC1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCl.Cn1ncc(Br)c1CN1CCC(N)C(C)(C)C1
InChIInChI=1S/C12H21BrN4.ClH/c1-12(2)8-17(5-4-11(12)14)7-10-9(13)6-15-16(10)3;/h6,11H,4-5,7-8,14H2,1-3H3;1H
InChIKeyLPKZKRYBHCBEAT-UHFFFAOYSA-N
MW337.69 g/mol
LogP2.16
Rot. Bonds2

About 1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120847118) has the molecular formula C12H22BrClN4 and a molecular weight of 337.69 g/mol. Its IUPAC name is 1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120847118
Molecular FormulaC12H22BrClN4
Molecular Weight337.69 g/mol
Exact Mass336.07
IUPAC Name1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCl.Cn1ncc(Br)c1CN1CCC(N)C(C)(C)C1
InChIInChI=1S/C12H21BrN4.ClH/c1-12(2)8-17(5-4-11(12)14)7-10-9(13)6-15-16(10)3;/h6,11H,4-5,7-8,14H2,1-3H3;1H
InChIKeyLPKZKRYBHCBEAT-UHFFFAOYSA-N
XLogP2.16
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-methyl-5-(pyrrolidin-1-ylmethyl)pyrazole
CID 130616658
4-bromo-5-[(3,3-difluoroazetidin-1-yl)methyl]-1-methylpyrazole
CID 170563364
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 120782277
3-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-4-bromophenol
CID 120781772
1-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782190
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120776732
1-[(5-bromothiophen-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120774960
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781982
1-[[1-(2-bromophenyl)tetrazol-5-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775540
1-[[2-(3,5-dimethylphenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781977

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120847118) is 1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is Cl.Cn1ncc(Br)c1CN1CCC(N)C(C)(C)C1.
What is the InChIKey of 1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is LPKZKRYBHCBEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4.ClH/c1-12(2)8-17(5-4-11(12)14)7-10-9(13)6-15-16(10)3;/h6,11H,4-5,7-8,14H2,1-3H3;1H.
What are the key properties of 1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 337.69 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120847118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).