3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine

C18H25N3OS — CID 120781546

IUPAC3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2csc(COc3ccccc3)n2)CCC1N
InChIInChI=1S/C18H25N3OS/c1-18(2)13-21(9-8-16(18)19)10-14-12-23-17(20-14)11-22-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13,19H2,1-2H3
InChIKeyQHWLSHKEHFBMMB-UHFFFAOYSA-N
MW331.48 g/mol
LogP3.28
Rot. Bonds5

About 3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine

3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine (PubChem CID 120781546) has the molecular formula C18H25N3OS and a molecular weight of 331.48 g/mol. Its IUPAC name is 3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
PubChem CID120781546
Molecular FormulaC18H25N3OS
Molecular Weight331.48 g/mol
Exact Mass331.17
IUPAC Name3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine
SMILESCC1(C)CN(Cc2csc(COc3ccccc3)n2)CCC1N
InChIInChI=1S/C18H25N3OS/c1-18(2)13-21(9-8-16(18)19)10-14-12-23-17(20-14)11-22-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13,19H2,1-2H3
InChIKeyQHWLSHKEHFBMMB-UHFFFAOYSA-N
XLogP3.28
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(phenoxymethyl)-4-(piperazin-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 82020434
2-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 120775121
3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218
[1-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780484
1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine
CID 120775782
1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782108
1-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-ethylpiperidin-4-amine
CID 75511141
1-[[2-(3-bromophenyl)-1,3-thiazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782314
N-[4-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 120775766
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 120774118
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine (CID 120781546) is 3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine is CC1(C)CN(Cc2csc(COc3ccccc3)n2)CCC1N.
What is the InChIKey of 3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is QHWLSHKEHFBMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c1-18(2)13-21(9-8-16(18)19)10-14-12-23-17(20-14)11-22-15-6-4-3-5-7-15/h3-7,12,16H,8-11,13,19H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine?
3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 331.48 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 120781546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).