1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine

C10H20N2O — CID 59049794

IUPAC1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine
SMILESCOC1(CN2CCN(C)CC2)CC1
InChIInChI=1S/C10H20N2O/c1-11-5-7-12(8-6-11)9-10(13-2)3-4-10/h3-9H2,1-2H3
InChIKeyBCUHBQYHTZVPKB-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.41
Rot. Bonds3

About 1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine

1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine (PubChem CID 59049794) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine
PubChem CID59049794
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine
SMILESCOC1(CN2CCN(C)CC2)CC1
InChIInChI=1S/C10H20N2O/c1-11-5-7-12(8-6-11)9-10(13-2)3-4-10/h3-9H2,1-2H3
InChIKeyBCUHBQYHTZVPKB-UHFFFAOYSA-N
XLogP0.41
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine (CID 59049794) is 1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine is COC1(CN2CCN(C)CC2)CC1.
What is the InChIKey of 1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine?
The InChIKey is BCUHBQYHTZVPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-11-5-7-12(8-6-11)9-10(13-2)3-4-10/h3-9H2,1-2H3.
What are the key properties of 1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine?
1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine has a molecular weight of 184.28 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methoxycyclopropyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 59049794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).