N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine

C12H25N3O — CID 115238395

IUPACN-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCN1CCNCC1CNCC1CCOCC1
InChIInChI=1S/C12H25N3O/c1-15-5-4-13-9-12(15)10-14-8-11-2-6-16-7-3-11/h11-14H,2-10H2,1H3
InChIKeyGDFWQOZESWOXQU-UHFFFAOYSA-N
MW227.35 g/mol
LogP-0.09
Rot. Bonds4

About N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine

N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine (PubChem CID 115238395) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine
PubChem CID115238395
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine
SMILESCN1CCNCC1CNCC1CCOCC1
InChIInChI=1S/C12H25N3O/c1-15-5-4-13-9-12(15)10-14-8-11-2-6-16-7-3-11/h11-14H,2-10H2,1H3
InChIKeyGDFWQOZESWOXQU-UHFFFAOYSA-N
XLogP-0.09
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[(1-methylpiperazin-2-yl)methyl]methanamine
CID 115238393
2-(1-methylpiperazin-2-yl)-N-[2-(oxan-4-yl)ethyl]acetamide
CID 115178445
N-(cyclopentylmethyl)-2-(1-methylpiperazin-2-yl)acetamide
CID 115178411
N-(morpholin-2-ylmethyl)-1-(oxan-4-yl)methanamine
CID 115237678
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
2-(1-methylpiperidin-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63712568
N-(oxan-4-ylmethyl)-2-piperazin-1-ylpropan-1-amine
CID 115255717
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
2,2,4-trimethyl-N-[(1-methylpiperazin-2-yl)methyl]pentan-1-amine
CID 115238515
N-(oxolan-3-ylmethyl)-1-pyrrolidin-3-ylmethanamine
CID 63006355
1-(oxan-4-ylmethyl)-2-propylpiperazine
CID 64832152

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine?
The IUPAC name of N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine (CID 115238395) is N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine?
The canonical SMILES for N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine is CN1CCNCC1CNCC1CCOCC1.
What is the InChIKey of N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine?
The InChIKey is GDFWQOZESWOXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-15-5-4-13-9-12(15)10-14-8-11-2-6-16-7-3-11/h11-14H,2-10H2,1H3.
What are the key properties of N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine?
N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine has a molecular weight of 227.35 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpiperazin-2-yl)methyl]-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 115238395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).