2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one

C14H28N2O — CID 169182421

IUPAC2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC1CCN(C(=O)C(N)C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-10(2)9-12-5-7-16(8-6-12)14(17)13(15)11(3)4/h10-13H,5-9,15H2,1-4H3
InChIKeyAYOYVNFOUQKBEV-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.25
Rot. Bonds4

About 2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one

2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one (PubChem CID 169182421) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one
PubChem CID169182421
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one
SMILESCC(C)CC1CCN(C(=O)C(N)C(C)C)CC1
InChIInChI=1S/C14H28N2O/c1-10(2)9-12-5-7-16(8-6-12)14(17)13(15)11(3)4/h10-13H,5-9,15H2,1-4H3
InChIKeyAYOYVNFOUQKBEV-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
(2R)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 103942705
2-amino-3-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119851877
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
(2S)-2-amino-1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3-methylbutan-1-one
CID 82696226
(2R)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 79011713
(2S)-2-amino-1-[3-[(cyclopropylmethylamino)methyl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 121230429
(2S)-2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 121230377
(2S)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 61155723
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-3-methylbutan-1-one
CID 79011459
(2R)-2-amino-3-methyl-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one
CID 69143170
(2S)-2-amino-3-methyl-1-[4-(3-methylbutoxy)piperidin-1-yl]butan-1-one;hydrochloride
CID 119296128

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one (CID 169182421) is 2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one is CC(C)CC1CCN(C(=O)C(N)C(C)C)CC1.
What is the InChIKey of 2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one?
The InChIKey is AYOYVNFOUQKBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-10(2)9-12-5-7-16(8-6-12)14(17)13(15)11(3)4/h10-13H,5-9,15H2,1-4H3.
What are the key properties of 2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one?
2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-1-[4-(2-methylpropyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 169182421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).