1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid

C14H26N2O2 — CID 116912640

IUPAC1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCN1CCCC(C(N(C)C)C2(C(=O)O)CCC2)C1
InChIInChI=1S/C14H26N2O2/c1-15(2)12(11-6-4-9-16(3)10-11)14(13(17)18)7-5-8-14/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeySHFULBGWJZUTLG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.51
Rot. Bonds4

About 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid

1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid (PubChem CID 116912640) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid
PubChem CID116912640
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid
SMILESCN1CCCC(C(N(C)C)C2(C(=O)O)CCC2)C1
InChIInChI=1S/C14H26N2O2/c1-15(2)12(11-6-4-9-16(3)10-11)14(13(17)18)7-5-8-14/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeySHFULBGWJZUTLG-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[dimethylamino-(1-methylpiperidin-3-yl)methyl]oxetane-3-carboxylic acid
CID 116912908
methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate
CID 116912790
1-[amino-(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944135
2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
CID 83483250
1-(dimethylamino)-2-methyl-1-(1-methylpiperidin-3-yl)propan-2-ol
CID 116911418
1-[methylamino-(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylic acid
CID 116958981
1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid
CID 82407097
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614
2-(1-methylpiperidin-3-yl)-2-piperidin-4-ylacetic acid
CID 116825117
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
(2S)-3-amino-2-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 124668280
acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine
CID 145244362

Frequently Asked Questions

What is the IUPAC name of 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid (CID 116912640) is 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid is CN1CCCC(C(N(C)C)C2(C(=O)O)CCC2)C1.
What is the InChIKey of 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is SHFULBGWJZUTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15(2)12(11-6-4-9-16(3)10-11)14(13(17)18)7-5-8-14/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid?
1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 116912640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).