1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine

C16H21N3S — CID 61331116

IUPAC1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCNC1(c2nccs2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21N3S/c1-17-16(15-18-9-12-20-15)7-10-19(11-8-16)13-14-5-3-2-4-6-14/h2-6,9,12,17H,7-8,10-11,13H2,1H3
InChIKeyXWCMGTABJMLJIZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.85
Rot. Bonds4

About 1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine

1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine (PubChem CID 61331116) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine
PubChem CID61331116
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine
SMILESCNC1(c2nccs2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H21N3S/c1-17-16(15-18-9-12-20-15)7-10-19(11-8-16)13-14-5-3-2-4-6-14/h2-6,9,12,17H,7-8,10-11,13H2,1H3
InChIKeyXWCMGTABJMLJIZ-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-methyl-3-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130632851
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1-benzyl-N-methyl-4-[2-(2-methylbut-3-en-2-yl)phenyl]piperidin-4-amine
CID 138749088
1-[(1-benzyl-4-phenylpiperidin-4-yl)amino]cyclobutane-1-carbaldehyde
CID 174309870
N-cyclopropyl-1-ethyl-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65077299
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 110114192
1-benzyl-4-hydroxypiperidine-4-sulfonic acid
CID 103574365
N-ethyl-1-(1,3-thiazol-2-yl)cyclododecan-1-amine
CID 63405296
1-ethyl-N-(2-methoxyethyl)-4-(1,3-thiazol-2-yl)azepan-4-amine
CID 65077549
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
1-[[(2R)-1-benzyl-2-methylpyrrolidin-2-yl]methyl]-3-(1,3-thiazol-2-ylmethyl)urea
CID 99823025

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine (CID 61331116) is 1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine is CNC1(c2nccs2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine?
The InChIKey is XWCMGTABJMLJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-17-16(15-18-9-12-20-15)7-10-19(11-8-16)13-14-5-3-2-4-6-14/h2-6,9,12,17H,7-8,10-11,13H2,1H3.
What are the key properties of 1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine?
1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine has a molecular weight of 287.43 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine is sourced from PubChem (CID 61331116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).