methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate

C14H26N2O2 — CID 116912790

IUPACmethyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(C2CCCN(C)C2)N(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-15(2)12(11-6-5-9-16(3)10-11)14(7-8-14)13(17)18-4/h11-12H,5-10H2,1-4H3
InChIKeyYGXJOCJTDGNFQA-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.21
Rot. Bonds4

About methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate

methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate (PubChem CID 116912790) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate
PubChem CID116912790
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(C2CCCN(C)C2)N(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-15(2)12(11-6-5-9-16(3)10-11)14(7-8-14)13(17)18-4/h11-12H,5-10H2,1-4H3
InChIKeyYGXJOCJTDGNFQA-UHFFFAOYSA-N
XLogP1.21
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxylic acid
CID 116912640
3-[dimethylamino-(1-methylpiperidin-3-yl)methyl]oxetane-3-carboxylic acid
CID 116912908
2-(methylamino)-2-(1-methylpiperidin-3-yl)acetic acid
CID 83483250
methyl 2-acetamido-2-(1-methylpiperidin-3-yl)acetate
CID 116860649
1-(dimethylamino)-2-methyl-1-(1-methylpiperidin-3-yl)propan-2-ol
CID 116911418
methyl (2S)-3-methyl-2-[1-(1-methylpiperidin-3-yl)ethylamino]butanoate
CID 61142649
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
methyl 1-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]cyclopropane-1-carboxylate
CID 115247638
methyl 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 115184300
methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103685
methyl 2-[dimethylamino-(1-methylpyrrolidin-3-yl)methyl]-3-methylbutanoate
CID 116913656
methyl 1-amino-2-[2-[3-(dimethylamino)piperidin-1-yl]ethyl]cyclopentane-1-carboxylate
CID 79572370

Frequently Asked Questions

What is the IUPAC name of methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate (CID 116912790) is methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate is COC(=O)C1(C(C2CCCN(C)C2)N(C)C)CC1.
What is the InChIKey of methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate?
The InChIKey is YGXJOCJTDGNFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-15(2)12(11-6-5-9-16(3)10-11)14(7-8-14)13(17)18-4/h11-12H,5-10H2,1-4H3.
What are the key properties of methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate?
methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[dimethylamino-(1-methylpiperidin-3-yl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116912790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).