2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride

C11H23ClN2O2 — CID 47003200

IUPAC2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
SMILESCC(C)CC(N)C(=O)N1CCC(O)CC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-8(2)7-10(12)11(15)13-5-3-9(14)4-6-13;/h8-10,14H,3-7,12H2,1-2H3;1H
InChIKeyFXRMQCKJKJBFFP-UHFFFAOYSA-N
MW250.77 g/mol
LogP0.76
Rot. Bonds3

About 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride

2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride (PubChem CID 47003200) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
PubChem CID47003200
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
SMILESCC(C)CC(N)C(=O)N1CCC(O)CC1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-8(2)7-10(12)11(15)13-5-3-9(14)4-6-13;/h8-10,14H,3-7,12H2,1-2H3;1H
InChIKeyFXRMQCKJKJBFFP-UHFFFAOYSA-N
XLogP0.76
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 102957127
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119852066
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 93469877
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
(2S)-2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119032049
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
2-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 119798033
(2S)-2-amino-1-[4-(ethylaminomethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 122080878
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
(2S)-2-amino-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 118427491

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride (CID 47003200) is 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride is CC(C)CC(N)C(=O)N1CCC(O)CC1.Cl.
What is the InChIKey of 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride?
The InChIKey is FXRMQCKJKJBFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-8(2)7-10(12)11(15)13-5-3-9(14)4-6-13;/h8-10,14H,3-7,12H2,1-2H3;1H.
What are the key properties of 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride?
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 47003200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).