1-(oxan-2-ylmethyl)piperazine

C10H20N2O — CID 14981447

IUPAC1-(oxan-2-ylmethyl)piperazine
SMILESC1CCC(CN2CCNCC2)OC1
InChIInChI=1S/C10H20N2O/c1-2-8-13-10(3-1)9-12-6-4-11-5-7-12/h10-11H,1-9H2
InChIKeyMKVZCUKEVHIJLL-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.46
Rot. Bonds2

About 1-(oxan-2-ylmethyl)piperazine

1-(oxan-2-ylmethyl)piperazine (PubChem CID 14981447) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)piperazine
PubChem CID14981447
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(oxan-2-ylmethyl)piperazine
SMILESC1CCC(CN2CCNCC2)OC1
InChIInChI=1S/C10H20N2O/c1-2-8-13-10(3-1)9-12-6-4-11-5-7-12/h10-11H,1-9H2
InChIKeyMKVZCUKEVHIJLL-UHFFFAOYSA-N
XLogP0.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-2-ylmethyl)piperidine-4-carbaldehyde
CID 62655555
1-(2-chloroethyl)-4-(oxan-2-ylmethyl)-1,4-diazepane
CID 63387807
3-(2-methylpropyl)-1-(oxan-2-ylmethyl)piperazine
CID 64834625
1-(iodomethyl)-4-(oxolan-2-ylmethyl)piperazine
CID 163911646
3-cyclopropyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871322
1-(oxolan-2-ylmethyl)-1,4-diazocan-5-one
CID 117015418
4-[4-(oxan-2-ylmethyl)piperazin-1-yl]butan-1-amine
CID 43591824
1-(2-methoxyethyl)-4-[[(2R)-oxan-2-yl]methyl]piperazine
CID 94532597
1-(2-methoxyethyl)-4-[[(2S)-oxan-2-yl]methyl]piperazine
CID 94532596
benzene;1-(oxiran-2-ylmethyl)piperazine
CID 174594870
3-cyclohexyl-1-(oxan-2-ylmethyl)-1,4-diazepane
CID 64871313
4-(oxolan-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane
CID 102567449

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)piperazine?
The IUPAC name of 1-(oxan-2-ylmethyl)piperazine (CID 14981447) is 1-(oxan-2-ylmethyl)piperazine.
What is the SMILES notation for 1-(oxan-2-ylmethyl)piperazine?
The canonical SMILES for 1-(oxan-2-ylmethyl)piperazine is C1CCC(CN2CCNCC2)OC1.
What is the InChIKey of 1-(oxan-2-ylmethyl)piperazine?
The InChIKey is MKVZCUKEVHIJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-8-13-10(3-1)9-12-6-4-11-5-7-12/h10-11H,1-9H2.
What are the key properties of 1-(oxan-2-ylmethyl)piperazine?
1-(oxan-2-ylmethyl)piperazine has a molecular weight of 184.28 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)piperazine is sourced from PubChem (CID 14981447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).