N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride

C13H24ClN3S — CID 120838062

IUPACN-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride
SMILESCCCc1csc(CN2CCCC(NC)C2)n1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-3-5-12-10-17-13(15-12)9-16-7-4-6-11(8-16)14-2;/h10-11,14H,3-9H2,1-2H3;1H
InChIKeyUHSGMOFFIRSOES-UHFFFAOYSA-N
MW289.88 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride

N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride (PubChem CID 120838062) has the molecular formula C13H24ClN3S and a molecular weight of 289.88 g/mol. Its IUPAC name is N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride
PubChem CID120838062
Molecular FormulaC13H24ClN3S
Molecular Weight289.88 g/mol
Exact Mass289.14
IUPAC NameN-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride
SMILESCCCc1csc(CN2CCCC(NC)C2)n1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-3-5-12-10-17-13(15-12)9-16-7-4-6-11(8-16)14-2;/h10-11,14H,3-9H2,1-2H3;1H
InChIKeyUHSGMOFFIRSOES-UHFFFAOYSA-N
XLogP2.70
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.88
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
CID 62545261
2-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846302
N-methyl-1-[[2-(2-phenylethyl)-1,3-thiazol-4-yl]methyl]piperidin-3-amine;dihydrochloride
CID 119918423
N-methyl-1-[1-[(4-propyl-1,3-thiazol-2-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120842796
N-(cyclopropylmethyl)-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120841666
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910148
N-methyl-1-[2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]methanamine
CID 82193978
N-[(3R)-1-[(2-butyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanesulfonamide
CID 94825826
N-[[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63849685
N-[[4-[[3-(methylamino)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 119918242
1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 43440901
1-[(2-chlorothiophen-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837875

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride (CID 120838062) is N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride is CCCc1csc(CN2CCCC(NC)C2)n1.Cl.
What is the InChIKey of N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride?
The InChIKey is UHSGMOFFIRSOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S.ClH/c1-3-5-12-10-17-13(15-12)9-16-7-4-6-11(8-16)14-2;/h10-11,14H,3-9H2,1-2H3;1H.
What are the key properties of N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride?
N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride has a molecular weight of 289.88 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4-propyl-1,3-thiazol-2-yl)methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 120838062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).