[(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol

C14H23ClN2OS — CID 70769445

IUPAC[(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
SMILESCN(C)C[C@H]1C[C@H](CO)CN(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C14H23ClN2OS/c1-16(2)6-11-5-12(10-18)8-17(7-11)9-13-3-4-14(15)19-13/h3-4,11-12,18H,5-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyXQNVEAVJWUJTPL-NEPJUHHUSA-N
MW302.87 g/mol
LogP2.39
Rot. Bonds5

About [(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol

[(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol (PubChem CID 70769445) has the molecular formula C14H23ClN2OS and a molecular weight of 302.87 g/mol. Its IUPAC name is [(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
PubChem CID70769445
Molecular FormulaC14H23ClN2OS
Molecular Weight302.87 g/mol
Exact Mass302.12
IUPAC Name[(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
SMILESCN(C)C[C@H]1C[C@H](CO)CN(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C14H23ClN2OS/c1-16(2)6-11-5-12(10-18)8-17(7-11)9-13-3-4-14(15)19-13/h3-4,11-12,18H,5-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyXQNVEAVJWUJTPL-NEPJUHHUSA-N
XLogP2.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.87
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol with MolForge

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Related Compounds

[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]methanol
CID 51080740
1-[(5-chlorothiophen-2-yl)methyl]-3,5-dimethylpiperazine
CID 63861880
[(3R,5S)-1-[(5-cyclohexylsulfanylfuran-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol
CID 133134512
N-[[1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]methyl]ethanamine
CID 62581145
1-[1-[(5-chlorothiophen-2-yl)methyl]azetidin-3-yl]piperazine
CID 66202987
1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917354
3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 80679761
N-[(5-chlorothiophen-2-yl)methyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-methylacetamide
CID 79410702
N-[(5-chlorothiophen-2-yl)methyl]-2-[(2S)-2-[(dimethylamino)methyl]morpholin-4-yl]-N-methylacetamide
CID 95757813
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 166390652
4-(4-chlorophenyl)-1-[(3R,5R)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 72931314
(2S,4R)-4-amino-1-[(5-chlorothiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70779572

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol (CID 70769445) is [(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol is CN(C)C[C@H]1C[C@H](CO)CN(Cc2ccc(Cl)s2)C1.
What is the InChIKey of [(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol?
The InChIKey is XQNVEAVJWUJTPL-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H23ClN2OS/c1-16(2)6-11-5-12(10-18)8-17(7-11)9-13-3-4-14(15)19-13/h3-4,11-12,18H,5-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of [(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol?
[(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol has a molecular weight of 302.87 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-1-[(5-chlorothiophen-2-yl)methyl]-5-[(dimethylamino)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 70769445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).