2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride

C13H27ClN2O — CID 119337251

IUPAC2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
SMILESCCCC1CCCN(C(=O)C(N)CCC)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-3-6-11-8-5-9-15(10-11)13(16)12(14)7-4-2;/h11-12H,3-10,14H2,1-2H3;1H
InChIKeyFSWXHYVBGLYUNF-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.57
Rot. Bonds5

About 2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride

2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride (PubChem CID 119337251) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
PubChem CID119337251
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
SMILESCCCC1CCCN(C(=O)C(N)CCC)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-3-6-11-8-5-9-15(10-11)13(16)12(14)7-4-2;/h11-12H,3-10,14H2,1-2H3;1H
InChIKeyFSWXHYVBGLYUNF-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[3-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796555
2-amino-1-(3-propylpyrrolidin-1-yl)butan-1-one
CID 115734204
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
4-amino-5-oxo-5-(3-propylpyrrolidin-1-yl)pentanoic acid
CID 113417412
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
3-amino-4-oxo-4-(4-propylazepan-1-yl)butanoic acid
CID 64895189
3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
CID 103870649
2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]pentan-1-one
CID 112624987
3-propylpiperidine-1-carboxamide
CID 18466872
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
2-amino-1-[3-(2-methylpropyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119322626
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride (CID 119337251) is 2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride is CCCC1CCCN(C(=O)C(N)CCC)C1.Cl.
What is the InChIKey of 2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride?
The InChIKey is FSWXHYVBGLYUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-3-6-11-8-5-9-15(10-11)13(16)12(14)7-4-2;/h11-12H,3-10,14H2,1-2H3;1H.
What are the key properties of 2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride?
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 119337251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).