2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid

C15H28N2O2 — CID 115221764

IUPAC2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN1CCCC(C(C)(C)CNCC2CC2C(=O)O)C1
InChIInChI=1S/C15H28N2O2/c1-15(2,12-5-4-6-17(3)9-12)10-16-8-11-7-13(11)14(18)19/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyFPQTZAWIZCCYIO-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.66
Rot. Bonds6

About 2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid

2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115221764) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115221764
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCN1CCCC(C(C)(C)CNCC2CC2C(=O)O)C1
InChIInChI=1S/C15H28N2O2/c1-15(2,12-5-4-6-17(3)9-12)10-16-8-11-7-13(11)14(18)19/h11-13,16H,4-10H2,1-3H3,(H,18,19)
InChIKeyFPQTZAWIZCCYIO-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]but-2-enoic acid
CID 115237429
2-methyl-3-[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]propanoic acid
CID 115219677
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115191508
N-(chloromethyl)-2-methyl-2-(1-methylpiperidin-3-yl)propan-1-amine
CID 115263731
[2-methyl-2-(1-methylpiperidin-3-yl)propyl]carbamothioic S-acid
CID 115170602
2-hydroxy-2-methyl-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]propanamide
CID 115179064
3-[[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]methyl]cyclobutan-1-amine
CID 115214441
2-methyl-2-(1-methylpiperidin-3-yl)-N-(morpholin-3-ylmethyl)propan-1-amine
CID 115238229
N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]-2-(propan-2-ylamino)acetamide
CID 115158389
2-(cyclopropylamino)-N-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]acetamide
CID 115158615
2-[[2-methyl-2-(1-methylpyrrolidin-3-yl)propyl]amino]acetaldehyde
CID 115223620
2-[(cyclohexylmethylamino)methyl]cyclopropane-1-carboxylic acid
CID 115221553

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115221764) is 2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid is CN1CCCC(C(C)(C)CNCC2CC2C(=O)O)C1.
What is the InChIKey of 2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FPQTZAWIZCCYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,12-5-4-6-17(3)9-12)10-16-8-11-7-13(11)14(18)19/h11-13,16H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid?
2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-methyl-2-(1-methylpiperidin-3-yl)propyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115221764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).