N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine

C13H23N3OS — CID 114042148

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCOCC1(CNC(C)c2nccs2)CCNCC1
InChIInChI=1S/C13H23N3OS/c1-11(12-15-7-8-18-12)16-9-13(10-17-2)3-5-14-6-4-13/h7-8,11,14,16H,3-6,9-10H2,1-2H3
InChIKeyQKAMGBWUPKPAMM-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.81
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine (PubChem CID 114042148) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
PubChem CID114042148
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine
SMILESCOCC1(CNC(C)c2nccs2)CCNCC1
InChIInChI=1S/C13H23N3OS/c1-11(12-15-7-8-18-12)16-9-13(10-17-2)3-5-14-6-4-13/h7-8,11,14,16H,3-6,9-10H2,1-2H3
InChIKeyQKAMGBWUPKPAMM-UHFFFAOYSA-N
XLogP1.81
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(1,3-thiazol-2-yl)propanamide;dihydrochloride
CID 120891633
N-[(1-methylsulfanylcyclopropyl)methyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 107269986
3-methoxy-3-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]butan-1-amine
CID 102978103
N-[2-(azetidin-3-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 116680140
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 120887412
1,1-dicyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanamine
CID 114042125
N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 46785149
1-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]cyclobutan-1-amine
CID 79845095
1-(1,3-thiazol-2-yl)-N-(thiomorpholin-3-ylmethyl)ethanamine
CID 82917675
4-(methoxymethyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 114041967
2,2-dimethyl-4-[1-(1,3-thiazol-2-yl)ethylamino]butanenitrile
CID 65253484
1-[(1-ethylcyclobutyl)methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 96535038

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine (CID 114042148) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine is COCC1(CNC(C)c2nccs2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is QKAMGBWUPKPAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-11(12-15-7-8-18-12)16-9-13(10-17-2)3-5-14-6-4-13/h7-8,11,14,16H,3-6,9-10H2,1-2H3.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 269.41 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 114042148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).