4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid

C10H20N2O2 — CID 154223183

IUPAC4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid
SMILESCC1(CCCN)CCN(C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-10(3-2-6-11)4-7-12(8-5-10)9(13)14/h2-8,11H2,1H3,(H,13,14)
InChIKeyMHKPHNULJPQMSX-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.51
Rot. Bonds3

About 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid

4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid (PubChem CID 154223183) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid
PubChem CID154223183
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid
SMILESCC1(CCCN)CCN(C(=O)O)CC1
InChIInChI=1S/C10H20N2O2/c1-10(3-2-6-11)4-7-12(8-5-10)9(13)14/h2-8,11H2,1H3,(H,13,14)
InChIKeyMHKPHNULJPQMSX-UHFFFAOYSA-N
XLogP1.51
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-aminopropyl)-2-methylmorpholine-4-carboxylic acid
CID 131988885
tert-butyl 4-(2-aminoethyl)-4-methylpiperidine-1-carboxylate
CID 66660873
4-hydroxy-4-methylpiperidine-1-carboxylic acid
CID 22507740
(3S)-3-(3-aminopropyl)-3-fluoropiperidine-1-carboxylic acid
CID 150512700
4-methyl-4-sulfanylpiperidine-1-carboxylic acid
CID 134329001
4-(4-aminobutanoyl)piperazine-1-carboxylic acid
CID 122623364
4-(aminomethyl)-4-(methylamino)piperidine-1-carboxylic acid
CID 174223439
1-(4-aminobutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144724
1-(7-aminoheptanoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123998
2-(2-aminoethyl)-7-azaspiro[3.5]nonane-7-carboxylic acid
CID 156506663
7-amino-1-(4,4-dimethylpiperidin-1-yl)heptan-1-one
CID 55157660
4-(bromomethyl)-4-fluoropiperidine-1-carboxylic acid
CID 161175898

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid (CID 154223183) is 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid is CC1(CCCN)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid?
The InChIKey is MHKPHNULJPQMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(3-2-6-11)4-7-12(8-5-10)9(13)14/h2-8,11H2,1H3,(H,13,14).
What are the key properties of 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid?
4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-4-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 154223183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).