N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine

C16H29N5O — CID 45252655

IUPACN-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine
SMILESCN(Cc1cn(CC2CCNCC2)nn1)CC1CCCCO1
InChIInChI=1S/C16H29N5O/c1-20(13-16-4-2-3-9-22-16)11-15-12-21(19-18-15)10-14-5-7-17-8-6-14/h12,14,16-17H,2-11,13H2,1H3
InChIKeySEPFONMXFSJHDL-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.28
Rot. Bonds6

About N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine

N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine (PubChem CID 45252655) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine
PubChem CID45252655
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine
SMILESCN(Cc1cn(CC2CCNCC2)nn1)CC1CCCCO1
InChIInChI=1S/C16H29N5O/c1-20(13-16-4-2-3-9-22-16)11-15-12-21(19-18-15)10-14-5-7-17-8-6-14/h12,14,16-17H,2-11,13H2,1H3
InChIKeySEPFONMXFSJHDL-UHFFFAOYSA-N
XLogP1.28
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine (CID 45252655) is N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine is CN(Cc1cn(CC2CCNCC2)nn1)CC1CCCCO1.
What is the InChIKey of N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine?
The InChIKey is SEPFONMXFSJHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-20(13-16-4-2-3-9-22-16)11-15-12-21(19-18-15)10-14-5-7-17-8-6-14/h12,14,16-17H,2-11,13H2,1H3.
What are the key properties of N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine?
N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine has a molecular weight of 307.44 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-2-yl)-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]methanamine is sourced from PubChem (CID 45252655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).