2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride

C13H27ClN2O — CID 119326462

IUPAC2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCCCC1C(C)C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-7-11(14)13(16)15-9-6-5-8-12(15)10(2)3;/h10-12H,4-9,14H2,1-3H3;1H
InChIKeyKUWWLYAYWHWZQP-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.57
Rot. Bonds4

About 2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride

2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride (PubChem CID 119326462) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride
PubChem CID119326462
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCCCC1C(C)C.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-7-11(14)13(16)15-9-6-5-8-12(15)10(2)3;/h10-12H,4-9,14H2,1-3H3;1H
InChIKeyKUWWLYAYWHWZQP-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminopentan-1-one
CID 102726243
[1-(2-aminopentanoyl)pyrrolidin-2-yl]boronic acid
CID 59336843
[1-(2-aminopentanoyl)piperidin-2-yl]methylurea
CID 119313331
2-amino-1-(2,5-dimethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119328145
ethane;1-(2-propan-2-ylpiperidin-1-yl)propan-1-one
CID 142558252
N-[[1-[(2R)-2-aminopentanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 103795207
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
1-(2-aminopentanoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43650356
1-[2-(1-aminoethyl)piperidin-1-yl]-2-butylsulfanylpropan-1-one;hydrochloride
CID 119435590
1-(2-aminopentanoyl)-N,N-diethylpyrrolidine-2-carboxamide
CID 119305878
(2S)-2-amino-1-[(2R)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493925

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride (CID 119326462) is 2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride is CCCC(N)C(=O)N1CCCCC1C(C)C.Cl.
What is the InChIKey of 2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride?
The InChIKey is KUWWLYAYWHWZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-4-7-11(14)13(16)15-9-6-5-8-12(15)10(2)3;/h10-12H,4-9,14H2,1-3H3;1H.
What are the key properties of 2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride?
2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-propan-2-ylpiperidin-1-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 119326462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).