N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride

C15H23ClN4S — CID 120837932

IUPACN-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2ccc(-c3cnn(C)c3)s2)C1.Cl
InChIInChI=1S/C15H22N4S.ClH/c1-16-13-4-3-7-19(10-13)11-14-5-6-15(20-14)12-8-17-18(2)9-12;/h5-6,8-9,13,16H,3-4,7,10-11H2,1-2H3;1H
InChIKeyMBQBPNFMWCREPW-UHFFFAOYSA-N
MW326.90 g/mol
LogP2.75
Rot. Bonds4

About N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride

N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride (PubChem CID 120837932) has the molecular formula C15H23ClN4S and a molecular weight of 326.90 g/mol. Its IUPAC name is N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride
PubChem CID120837932
Molecular FormulaC15H23ClN4S
Molecular Weight326.90 g/mol
Exact Mass326.13
IUPAC NameN-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2ccc(-c3cnn(C)c3)s2)C1.Cl
InChIInChI=1S/C15H22N4S.ClH/c1-16-13-4-3-7-19(10-13)11-14-5-6-15(20-14)12-8-17-18(2)9-12;/h5-6,8-9,13,16H,3-4,7,10-11H2,1-2H3;1H
InChIKeyMBQBPNFMWCREPW-UHFFFAOYSA-N
XLogP2.75
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.90
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-amine
CID 120836296
[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120837708
1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine;hydrochloride
CID 120833629
1-[1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]pyrrolidin-3-yl]piperazine
CID 120967450
N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine
CID 120838020
2,3-dimethyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
CID 120843259
2-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperazine
CID 120837052
N-methyl-1-[(5-thiophen-2-yl-1,3-oxazol-2-yl)methyl]piperidin-3-amine
CID 119919890
1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 122041089
1-[(2-chlorothiophen-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837875
1-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-N-methylpiperidin-3-amine;dihydrochloride
CID 119918897
N-methyl-N-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-4-amine
CID 120835285

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride (CID 120837932) is N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride is CNC1CCCN(Cc2ccc(-c3cnn(C)c3)s2)C1.Cl.
What is the InChIKey of N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride?
The InChIKey is MBQBPNFMWCREPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4S.ClH/c1-16-13-4-3-7-19(10-13)11-14-5-6-15(20-14)12-8-17-18(2)9-12;/h5-6,8-9,13,16H,3-4,7,10-11H2,1-2H3;1H.
What are the key properties of N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride?
N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride has a molecular weight of 326.90 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 120837932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).