[(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol

C14H24N2OS — CID 91915666

IUPAC[(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol
SMILESCc1ccc(CN2CC[C@H](CO)[C@H](N(C)C)C2)s1
InChIInChI=1S/C14H24N2OS/c1-11-4-5-13(18-11)8-16-7-6-12(10-17)14(9-16)15(2)3/h4-5,12,14,17H,6-10H2,1-3H3/t12-,14-/m1/s1
InChIKeyIHRQUPPHORAMDV-TZMCWYRMSA-N
MW268.43 g/mol
LogP1.80
Rot. Bonds4

About [(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol

[(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol (PubChem CID 91915666) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol
PubChem CID91915666
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol
SMILESCc1ccc(CN2CC[C@H](CO)[C@H](N(C)C)C2)s1
InChIInChI=1S/C14H24N2OS/c1-11-4-5-13(18-11)8-16-7-6-12(10-17)14(9-16)15(2)3/h4-5,12,14,17H,6-10H2,1-3H3/t12-,14-/m1/s1
InChIKeyIHRQUPPHORAMDV-TZMCWYRMSA-N
XLogP1.80
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol (CID 91915666) is [(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol is Cc1ccc(CN2CC[C@H](CO)[C@H](N(C)C)C2)s1.
What is the InChIKey of [(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is IHRQUPPHORAMDV-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-11-4-5-13(18-11)8-16-7-6-12(10-17)14(9-16)15(2)3/h4-5,12,14,17H,6-10H2,1-3H3/t12-,14-/m1/s1.
What are the key properties of [(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol?
[(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 268.43 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(dimethylamino)-1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 91915666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).