(1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol

C16H24N4OS — CID 30920628

IUPAC(1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCc1ccsc1CN1CCC(Cn2cc([C@H](C)O)nn2)CC1
InChIInChI=1S/C16H24N4OS/c1-12-5-8-22-16(12)11-19-6-3-14(4-7-19)9-20-10-15(13(2)21)17-18-20/h5,8,10,13-14,21H,3-4,6-7,9,11H2,1-2H3/t13-/m0/s1
InChIKeyCNTOJYGOPPMGQN-ZDUSSCGKSA-N
MW320.46 g/mol
LogP2.61
Rot. Bonds5

About (1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol

(1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (PubChem CID 30920628) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is (1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
PubChem CID30920628
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name(1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol
SMILESCc1ccsc1CN1CCC(Cn2cc([C@H](C)O)nn2)CC1
InChIInChI=1S/C16H24N4OS/c1-12-5-8-22-16(12)11-19-6-3-14(4-7-19)9-20-10-15(13(2)21)17-18-20/h5,8,10,13-14,21H,3-4,6-7,9,11H2,1-2H3/t13-/m0/s1
InChIKeyCNTOJYGOPPMGQN-ZDUSSCGKSA-N
XLogP2.61
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol (CID 30920628) is (1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is Cc1ccsc1CN1CCC(Cn2cc([C@H](C)O)nn2)CC1.
What is the InChIKey of (1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
The InChIKey is CNTOJYGOPPMGQN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-12-5-8-22-16(12)11-19-6-3-14(4-7-19)9-20-10-15(13(2)21)17-18-20/h5,8,10,13-14,21H,3-4,6-7,9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of (1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol?
(1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol has a molecular weight of 320.46 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 30920628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).