4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride

C9H19ClN2O2 — CID 137373042

IUPAC4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
SMILESCC(N)CC1CCN(C(=O)O)CC1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-7(10)6-8-2-4-11(5-3-8)9(12)13;/h7-8H,2-6,10H2,1H3,(H,12,13);1H
InChIKeyOPSXFNZVIWUOOU-UHFFFAOYSA-N
MW222.72 g/mol
LogP1.54
Rot. Bonds2

About 4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride

4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride (PubChem CID 137373042) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
PubChem CID137373042
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Name4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride
SMILESCC(N)CC1CCN(C(=O)O)CC1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-7(10)6-8-2-4-11(5-3-8)9(12)13;/h7-8H,2-6,10H2,1H3,(H,12,13);1H
InChIKeyOPSXFNZVIWUOOU-UHFFFAOYSA-N
XLogP1.54
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2S)-2-amino-2-cyclopropylethyl]piperidine-1-carboxylic acid
CID 137373252
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
CID 174994313
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
4-[2-methyl-3-(methylamino)propyl]piperidine-1-carboxylic acid
CID 154017812
4-(1-bromoethyl)piperidine-1-carboxylic acid
CID 22936412
4-(2,3-dihydroxypropyl)piperidine-1-carboxylic acid
CID 68759598
4-[(2S)-2,3-dihydroxypropyl]piperidine-1-carboxylic acid
CID 156506776
tert-butyl 4-(2-aminopropyl)azepane-1-carboxylate
CID 83913153
3-(2-acetyl-3-oxobutyl)pyrrolidine-1-carboxylic acid
CID 172776765
4-(propan-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
CID 66803087

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride?
The IUPAC name of 4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride (CID 137373042) is 4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride?
The canonical SMILES for 4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride is CC(N)CC1CCN(C(=O)O)CC1.Cl.
What is the InChIKey of 4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride?
The InChIKey is OPSXFNZVIWUOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-7(10)6-8-2-4-11(5-3-8)9(12)13;/h7-8H,2-6,10H2,1H3,(H,12,13);1H.
What are the key properties of 4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride?
4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)piperidine-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 137373042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).