4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine

C17H26N4S — CID 46996812

IUPAC4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccsc1CN1CCC(n2cc(CC(C)C)nn2)CC1
InChIInChI=1S/C17H26N4S/c1-13(2)10-15-11-21(19-18-15)16-4-7-20(8-5-16)12-17-14(3)6-9-22-17/h6,9,11,13,16H,4-5,7-8,10,12H2,1-3H3
InChIKeyPOBLFZYOZMFFCV-UHFFFAOYSA-N
MW318.49 g/mol
LogP3.68
Rot. Bonds5

About 4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine

4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine (PubChem CID 46996812) has the molecular formula C17H26N4S and a molecular weight of 318.49 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine
PubChem CID46996812
Molecular FormulaC17H26N4S
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Name4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine
SMILESCc1ccsc1CN1CCC(n2cc(CC(C)C)nn2)CC1
InChIInChI=1S/C17H26N4S/c1-13(2)10-15-11-21(19-18-15)16-4-7-20(8-5-16)12-17-14(3)6-9-22-17/h6,9,11,13,16H,4-5,7-8,10,12H2,1-3H3
InChIKeyPOBLFZYOZMFFCV-UHFFFAOYSA-N
XLogP3.68
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[4-(5-phenylthiophen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 70980788
(3R)-3-[4-(4-thiophen-2-ylphenyl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 70981645
(3R)-3-(4-thiophen-2-yltriazol-1-yl)-1-azabicyclo[2.2.2]octane
CID 89943911
N-methyl-1-(1-{[1-(2-thienylmethyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanamine
CID 28139267
4-[4-(1-pyrrolidinylmethyl)-1H-1,2,3-triazol-1-yl]-1-(3-thienylmethyl)piperidine bis(trifluoroacetate)
CID 29029926
5-[[1-(4-piperidyl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71740371
5-[[1-(1-methyl-4-piperidyl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71740498
1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]-1-piperidyl]ethanone
CID 71740500
1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]-1-piperidyl]propan-1-one
CID 71740501
1-[4-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)triazol-1-yl]-1-piperidyl]-2-methyl-propan-1-one
CID 71740502
5-[[1-(1-methylsulfonyl-4-piperidyl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71740606
5-[[1-(1-benzylpiperidin-4-yl)triazol-4-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 71740608

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine (CID 46996812) is 4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine is Cc1ccsc1CN1CCC(n2cc(CC(C)C)nn2)CC1.
What is the InChIKey of 4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine?
The InChIKey is POBLFZYOZMFFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4S/c1-13(2)10-15-11-21(19-18-15)16-4-7-20(8-5-16)12-17-14(3)6-9-22-17/h6,9,11,13,16H,4-5,7-8,10,12H2,1-3H3.
What are the key properties of 4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine?
4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine has a molecular weight of 318.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)triazol-1-yl]-1-[(3-methylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 46996812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).