N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine

C16H26N4O — CID 62263035

IUPACN-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESCNCC1(CN2CCN(c3ccccn3)CC2)CCOC1
InChIInChI=1S/C16H26N4O/c1-17-12-16(5-11-21-14-16)13-19-7-9-20(10-8-19)15-4-2-3-6-18-15/h2-4,6,17H,5,7-14H2,1H3
InChIKeyLUGCIIJTAFOBHA-UHFFFAOYSA-N
MW290.41 g/mol
LogP0.83
Rot. Bonds5

About N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine

N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine (PubChem CID 62263035) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
PubChem CID62263035
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
SMILESCNCC1(CN2CCN(c3ccccn3)CC2)CCOC1
InChIInChI=1S/C16H26N4O/c1-17-12-16(5-11-21-14-16)13-19-7-9-20(10-8-19)15-4-2-3-6-18-15/h2-4,6,17H,5,7-14H2,1H3
InChIKeyLUGCIIJTAFOBHA-UHFFFAOYSA-N
XLogP0.83
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine with MolForge

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Related Compounds

3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62271743
1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 87852437
[3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanol
CID 62270019
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
1-(3,3-dimethylmorpholin-4-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71866921
1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 143049058
methyl 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-oxabicyclo[2.2.2]octane-4-carboxylate
CID 167913462
7-pyridin-2-yl-2-oxa-7-azaspiro[4.4]nonane
CID 71921202
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 62423144
N-methyl-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]prop-2-en-1-amine
CID 103069063
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid
CID 62271935

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine (CID 62263035) is N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine is CNCC1(CN2CCN(c3ccccn3)CC2)CCOC1.
What is the InChIKey of N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
The InChIKey is LUGCIIJTAFOBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-17-12-16(5-11-21-14-16)13-19-7-9-20(10-8-19)15-4-2-3-6-18-15/h2-4,6,17H,5,7-14H2,1H3.
What are the key properties of N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine?
N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine has a molecular weight of 290.41 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 62263035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).