3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol

C12H25N3O — CID 171641637

IUPAC3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol
SMILESCCN1CCN(CN(C)C2CC(O)C2)CC1
InChIInChI=1S/C12H25N3O/c1-3-14-4-6-15(7-5-14)10-13(2)11-8-12(16)9-11/h11-12,16H,3-10H2,1-2H3
InChIKeyDDWYNJZYIGCGPG-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.04
Rot. Bonds4

About 3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol

3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol (PubChem CID 171641637) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol
PubChem CID171641637
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol
SMILESCCN1CCN(CN(C)C2CC(O)C2)CC1
InChIInChI=1S/C12H25N3O/c1-3-14-4-6-15(7-5-14)10-13(2)11-8-12(16)9-11/h11-12,16H,3-10H2,1-2H3
InChIKeyDDWYNJZYIGCGPG-UHFFFAOYSA-N
XLogP0.04
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylpiperazin-1-yl)methyl]-3-methoxy-N-methylcyclobutan-1-amine
CID 171641186
3-[ethyl(methyl)amino]cyclobutan-1-ol;hydrochloride
CID 146675792
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
1,4-diethylpiperazine;sulfane
CID 177062456
3-[cyclopropylmethyl(methyl)amino]cyclobutan-1-ol;hydrochloride
CID 146675794
(3R,5S)-1-ethylpiperidine-3,5-diol
CID 96570686
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692
N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine
CID 66474518
N-cyclobutyl-1-ethyl-N-methylpiperidin-4-amine;hydrofluoride
CID 178156932
N-cyclopentyl-1-ethyl-N-methylpiperidin-4-amine
CID 178157207
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
4,10-diethyl-1,4,7,10-tetrazabicyclo[5.5.2]tetradecane
CID 18740677

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol?
The IUPAC name of 3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol (CID 171641637) is 3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol is CCN1CCN(CN(C)C2CC(O)C2)CC1.
What is the InChIKey of 3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol?
The InChIKey is DDWYNJZYIGCGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-14-4-6-15(7-5-14)10-13(2)11-8-12(16)9-11/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol?
3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol has a molecular weight of 227.35 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperazin-1-yl)methyl-methylamino]cyclobutan-1-ol is sourced from PubChem (CID 171641637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).