3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine

C15H30N2O — CID 156885185

IUPAC3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine
SMILESCCCN1CCC(CN(C)C2CC(OC)C2)CC1
InChIInChI=1S/C15H30N2O/c1-4-7-17-8-5-13(6-9-17)12-16(2)14-10-15(11-14)18-3/h13-15H,4-12H2,1-3H3
InChIKeyJYUDQFKECCFRGO-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.22
Rot. Bonds6

About 3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine

3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine (PubChem CID 156885185) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine
PubChem CID156885185
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine
SMILESCCCN1CCC(CN(C)C2CC(OC)C2)CC1
InChIInChI=1S/C15H30N2O/c1-4-7-17-8-5-13(6-9-17)12-16(2)14-10-15(11-14)18-3/h13-15H,4-12H2,1-3H3
InChIKeyJYUDQFKECCFRGO-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-methyl-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]cyclobutan-1-amine
CID 166035375
N-[(4-ethylpiperazin-1-yl)methyl]-3-methoxy-N-methylcyclobutan-1-amine
CID 171641186
ethane;N-[(1-ethylpiperidin-4-yl)methyl]-N-methylcyclobutanamine
CID 171641475
N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-4-amine
CID 59369351
1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 172611487
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 138723132
N,N-dimethyl-1-(1-propylazocan-5-yl)methanamine
CID 146215533
N-[(4-methoxycyclohexyl)methyl]-N-methylcyclopentanamine
CID 166875846
N'-ethyl-N,N-dimethyl-N'-(1-propylpiperidin-4-yl)ethane-1,2-diamine
CID 2846519
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]azetidin-3-amine
CID 63236886
1-methyl-4-[(1-propylpiperidin-4-yl)oxymethyl]piperidine
CID 155750999
butane;N-[(1-butylpiperidin-4-yl)methyl]-N-methylethanamine
CID 156795126

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine (CID 156885185) is 3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine is CCCN1CCC(CN(C)C2CC(OC)C2)CC1.
What is the InChIKey of 3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine?
The InChIKey is JYUDQFKECCFRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-7-17-8-5-13(6-9-17)12-16(2)14-10-15(11-14)18-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine?
3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[(1-propylpiperidin-4-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 156885185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).