2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one

C13H26N2O2 — CID 103810273

IUPAC2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-9(2)12(14)13(17)15-7-5-11(6-8-15)10(3)16/h9-12,16H,4-8,14H2,1-3H3
InChIKeyDZRAFKBLRXCZDS-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.98
Rot. Bonds4

About 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one

2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one (PubChem CID 103810273) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
PubChem CID103810273
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CCC(C(C)O)CC1
InChIInChI=1S/C13H26N2O2/c1-4-9(2)12(14)13(17)15-7-5-11(6-8-15)10(3)16/h9-12,16H,4-8,14H2,1-3H3
InChIKeyDZRAFKBLRXCZDS-UHFFFAOYSA-N
XLogP0.98
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 103942735
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one
CID 54874275
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
N-[1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidin-4-yl]acetamide
CID 113314985
ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
CID 61041155
(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 104940920
(2S,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-3-methylpentan-1-one;hydrochloride
CID 119399357
2-amino-3-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119738906
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-3-methylpentan-1-one
CID 61430696

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one (CID 103810273) is 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one is CCC(C)C(N)C(=O)N1CCC(C(C)O)CC1.
What is the InChIKey of 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one?
The InChIKey is DZRAFKBLRXCZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-4-9(2)12(14)13(17)15-7-5-11(6-8-15)10(3)16/h9-12,16H,4-8,14H2,1-3H3.
What are the key properties of 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one?
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one has a molecular weight of 242.36 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 103810273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).