1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine

C13H24N2O — CID 126851078

IUPAC1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
SMILESC1CC(N2CCN(CC3CC3)CC2)CCO1
InChIInChI=1S/C13H24N2O/c1-2-12(1)11-14-5-7-15(8-6-14)13-3-9-16-10-4-13/h12-13H,1-11H2
InChIKeyDHNIHNMUBPSTLV-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.19
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine

1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine (PubChem CID 126851078) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
PubChem CID126851078
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
SMILESC1CC(N2CCN(CC3CC3)CC2)CCO1
InChIInChI=1S/C13H24N2O/c1-2-12(1)11-14-5-7-15(8-6-14)13-3-9-16-10-4-13/h12-13H,1-11H2
InChIKeyDHNIHNMUBPSTLV-UHFFFAOYSA-N
XLogP1.19
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxan-4-ylmethyl)morpholine
CID 122244931
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838
1-methyl-5-[[4-(oxan-4-yl)piperazin-1-yl]methyl]piperidin-2-one
CID 138808942
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine;methane
CID 160896318
1-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-4-amine
CID 59410340
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
CID 71196303
4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine
CID 58153963
[1-(oxan-4-ylmethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 53256412
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
2-[4-(oxan-4-ylmethyl)piperazin-1-yl]ethanamine
CID 62385284
3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine
CID 79469281
(3S)-1-(cyclopropylmethyl)-N-(oxan-4-yl)pyrrolidin-3-amine
CID 97068723

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine?
The IUPAC name of 1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine (CID 126851078) is 1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine is C1CC(N2CCN(CC3CC3)CC2)CCO1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine?
The InChIKey is DHNIHNMUBPSTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-12(1)11-14-5-7-15(8-6-14)13-3-9-16-10-4-13/h12-13H,1-11H2.
What are the key properties of 1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine?
1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine has a molecular weight of 224.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine is sourced from PubChem (CID 126851078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).