[1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine

C19H29N5OS — CID 45227943

IUPAC[1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCN(Cc3ccc(C4CCCCO4)s3)CC2)nn1
InChIInChI=1S/C19H29N5OS/c20-11-16-13-24(22-21-16)12-15-6-8-23(9-7-15)14-17-4-5-19(26-17)18-3-1-2-10-25-18/h4-5,13,15,18H,1-3,6-12,14,20H2
InChIKeyAEOPRKZXOIGBHO-UHFFFAOYSA-N
MW375.54 g/mol
LogP2.95
Rot. Bonds6

About [1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine

[1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine (PubChem CID 45227943) has the molecular formula C19H29N5OS and a molecular weight of 375.54 g/mol. Its IUPAC name is [1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine
PubChem CID45227943
Molecular FormulaC19H29N5OS
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC Name[1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine
SMILESNCc1cn(CC2CCN(Cc3ccc(C4CCCCO4)s3)CC2)nn1
InChIInChI=1S/C19H29N5OS/c20-11-16-13-24(22-21-16)12-15-6-8-23(9-7-15)14-17-4-5-19(26-17)18-3-1-2-10-25-18/h4-5,13,15,18H,1-3,6-12,14,20H2
InChIKeyAEOPRKZXOIGBHO-UHFFFAOYSA-N
XLogP2.95
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine (CID 45227943) is [1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine is NCc1cn(CC2CCN(Cc3ccc(C4CCCCO4)s3)CC2)nn1.
What is the InChIKey of [1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine?
The InChIKey is AEOPRKZXOIGBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5OS/c20-11-16-13-24(22-21-16)12-15-6-8-23(9-7-15)14-17-4-5-19(26-17)18-3-1-2-10-25-18/h4-5,13,15,18H,1-3,6-12,14,20H2.
What are the key properties of [1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine?
[1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine has a molecular weight of 375.54 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 45227943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).