(3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium

C10H21N2O+ — CID 171847168

IUPAC(3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium
SMILESCOC1CC(N2CC[NH2+][C@H](C)C2)C1
InChIInChI=1S/C10H20N2O/c1-8-7-12(4-3-11-8)9-5-10(6-9)13-2/h8-11H,3-7H2,1-2H3/p+1/t8-,9?,10?/m1/s1
InChIKeyFXJLTGDDSHWHQV-XNWIYYODSA-O
MW185.29 g/mol
LogP-0.57
Rot. Bonds2

About (3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium

(3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium (PubChem CID 171847168) has the molecular formula C10H21N2O+ and a molecular weight of 185.29 g/mol. Its IUPAC name is (3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium.

Molecular Properties

Compound Name(3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium
PubChem CID171847168
Molecular FormulaC10H21N2O+
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium
SMILESCOC1CC(N2CC[NH2+][C@H](C)C2)C1
InChIInChI=1S/C10H20N2O/c1-8-7-12(4-3-11-8)9-5-10(6-9)13-2/h8-11H,3-7H2,1-2H3/p+1/t8-,9?,10?/m1/s1
InChIKeyFXJLTGDDSHWHQV-XNWIYYODSA-O
XLogP-0.57
TPSA29.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium?
The IUPAC name of (3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium (CID 171847168) is (3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium.
What is the SMILES notation for (3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium?
The canonical SMILES for (3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium is COC1CC(N2CC[NH2+][C@H](C)C2)C1.
What is the InChIKey of (3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium?
The InChIKey is FXJLTGDDSHWHQV-XNWIYYODSA-O. The full InChI is InChI=1S/C10H20N2O/c1-8-7-12(4-3-11-8)9-5-10(6-9)13-2/h8-11H,3-7H2,1-2H3/p+1/t8-,9?,10?/m1/s1.
What are the key properties of (3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium?
(3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium has a molecular weight of 185.29 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxycyclobutyl)-3-methylpiperazin-4-ium is sourced from PubChem (CID 171847168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).