[(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol

C14H25N3OS — CID 99929213

IUPAC[(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol
SMILESCN(C)Cc1csc(CN2CCN(C)[C@@H](CO)C2)c1
InChIInChI=1S/C14H25N3OS/c1-15(2)7-12-6-14(19-11-12)9-17-5-4-16(3)13(8-17)10-18/h6,11,13,18H,4-5,7-10H2,1-3H3/t13-/m1/s1
InChIKeyXYZCEBCKQHJCMX-CYBMUJFWSA-N
MW283.44 g/mol
LogP0.92
Rot. Bonds5

About [(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol

[(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol (PubChem CID 99929213) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is [(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol
PubChem CID99929213
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name[(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol
SMILESCN(C)Cc1csc(CN2CCN(C)[C@@H](CO)C2)c1
InChIInChI=1S/C14H25N3OS/c1-15(2)7-12-6-14(19-11-12)9-17-5-4-16(3)13(8-17)10-18/h6,11,13,18H,4-5,7-10H2,1-3H3/t13-/m1/s1
InChIKeyXYZCEBCKQHJCMX-CYBMUJFWSA-N
XLogP0.92
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol with MolForge

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Related Compounds

1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile
CID 74248005
1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine
CID 74251551
N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine
CID 77092563
1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
CID 77082788
[(2R)-4-ethyl-1-methylpiperazin-2-yl]methanol
CID 147759267
1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
CID 77095979
[(2R)-4-[(5-chlorofuran-2-yl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99933061
[(2S)-4-[(2-ethylpyrimidin-5-yl)methyl]-1-methylpiperazin-2-yl]methanol
CID 99930583
(5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95873408
9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56900091
(2R)-1-methyl-2-phenyl-4-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperazine
CID 124752129
2-[1-cyclopentyl-4-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperazin-2-yl]ethanol
CID 45220710

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol (CID 99929213) is [(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol is CN(C)Cc1csc(CN2CCN(C)[C@@H](CO)C2)c1.
What is the InChIKey of [(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol?
The InChIKey is XYZCEBCKQHJCMX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-15(2)7-12-6-14(19-11-12)9-17-5-4-16(3)13(8-17)10-18/h6,11,13,18H,4-5,7-10H2,1-3H3/t13-/m1/s1.
What are the key properties of [(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol?
[(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol has a molecular weight of 283.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 99929213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).