N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine

C16H29N5O — CID 30869809

IUPACN-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine
SMILESCCN(Cc1cn(CC2CCNCC2)nn1)C[C@H]1CCCO1
InChIInChI=1S/C16H29N5O/c1-2-20(13-16-4-3-9-22-16)11-15-12-21(19-18-15)10-14-5-7-17-8-6-14/h12,14,16-17H,2-11,13H2,1H3/t16-/m1/s1
InChIKeyMGOXPUVMHUBTMN-MRXNPFEDSA-N
MW307.44 g/mol
LogP1.28
Rot. Bonds7

About N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine

N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine (PubChem CID 30869809) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine
PubChem CID30869809
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine
SMILESCCN(Cc1cn(CC2CCNCC2)nn1)C[C@H]1CCCO1
InChIInChI=1S/C16H29N5O/c1-2-20(13-16-4-3-9-22-16)11-15-12-21(19-18-15)10-14-5-7-17-8-6-14/h12,14,16-17H,2-11,13H2,1H3/t16-/m1/s1
InChIKeyMGOXPUVMHUBTMN-MRXNPFEDSA-N
XLogP1.28
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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

Analyze N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine (CID 30869809) is N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine is CCN(Cc1cn(CC2CCNCC2)nn1)C[C@H]1CCCO1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine?
The InChIKey is MGOXPUVMHUBTMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H29N5O/c1-2-20(13-16-4-3-9-22-16)11-15-12-21(19-18-15)10-14-5-7-17-8-6-14/h12,14,16-17H,2-11,13H2,1H3/t16-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine?
N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine has a molecular weight of 307.44 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-N-[[1-(piperidin-4-ylmethyl)triazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 30869809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).