1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C13H24ClN3S — CID 120781712

IUPAC1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCCc1ncc(CN2CCC(N)C(C)(C)C2)s1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-4-12-15-7-10(17-12)8-16-6-5-11(14)13(2,3)9-16;/h7,11H,4-6,8-9,14H2,1-3H3;1H
InChIKeyZUHIAOPXLSEYTE-UHFFFAOYSA-N
MW289.88 g/mol
LogP2.69
Rot. Bonds3

About 1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120781712) has the molecular formula C13H24ClN3S and a molecular weight of 289.88 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120781712
Molecular FormulaC13H24ClN3S
Molecular Weight289.88 g/mol
Exact Mass289.14
IUPAC Name1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCCc1ncc(CN2CCC(N)C(C)(C)C2)s1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-4-12-15-7-10(17-12)8-16-6-5-11(14)13(2,3)9-16;/h7,11H,4-6,8-9,14H2,1-3H3;1H
InChIKeyZUHIAOPXLSEYTE-UHFFFAOYSA-N
XLogP2.69
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.88
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 120782171
3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781982
3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 120782277
3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 120781510
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120782200
5-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-2-ethyl-1,3-thiazole
CID 120906886
1-[(2-ethylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114267620
1-[(4-ethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782053
3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120781863

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120781712) is 1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CCc1ncc(CN2CCC(N)C(C)(C)C2)s1.Cl.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is ZUHIAOPXLSEYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S.ClH/c1-4-12-15-7-10(17-12)8-16-6-5-11(14)13(2,3)9-16;/h7,11H,4-6,8-9,14H2,1-3H3;1H.
What are the key properties of 1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 289.88 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120781712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).