(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one

C11H23N3O — CID 61148515

IUPAC(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-9(12)11(15)14-6-4-10(5-7-14)8-13(2)3/h9-10H,4-8,12H2,1-3H3/t9-/m0/s1
InChIKeyRPEBLPHUSGVHQO-VIFPVBQESA-N
MW213.32 g/mol
LogP0.13
Rot. Bonds3

About (2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one

(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one (PubChem CID 61148515) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
PubChem CID61148515
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(CN(C)C)CC1
InChIInChI=1S/C11H23N3O/c1-9(12)11(15)14-6-4-10(5-7-14)8-13(2)3/h9-10H,4-8,12H2,1-3H3/t9-/m0/s1
InChIKeyRPEBLPHUSGVHQO-VIFPVBQESA-N
XLogP0.13
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 79012715
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119852066
(2S)-2-amino-3-cyclopropyl-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 112735279
(2S)-2-amino-1-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]propan-1-one;dihydrochloride
CID 119875257
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 79201880
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
2-[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-N'-hydroxy-3-methylbutanimidamide
CID 76926862
(2S)-2-amino-1-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 129393084
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
N-[[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]methyl]acetamide
CID 66567593

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one (CID 61148515) is (2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one is C[C@H](N)C(=O)N1CCC(CN(C)C)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one?
The InChIKey is RPEBLPHUSGVHQO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23N3O/c1-9(12)11(15)14-6-4-10(5-7-14)8-13(2)3/h9-10H,4-8,12H2,1-3H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one?
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one has a molecular weight of 213.32 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 61148515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).