(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one

C11H22N2O — CID 130762944

IUPAC(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
SMILESCCC1(C)CCCN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C11H22N2O/c1-4-11(3)6-5-7-13(8-11)10(14)9(2)12/h9H,4-8,12H2,1-3H3/t9-,11?/m0/s1
InChIKeySNAVUAAWBVNWQP-FTNKSUMCSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds2

About (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one

(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one (PubChem CID 130762944) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
PubChem CID130762944
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
SMILESCCC1(C)CCCN(C(=O)[C@H](C)N)C1
InChIInChI=1S/C11H22N2O/c1-4-11(3)6-5-7-13(8-11)10(14)9(2)12/h9H,4-8,12H2,1-3H3/t9-,11?/m0/s1
InChIKeySNAVUAAWBVNWQP-FTNKSUMCSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one (CID 130762944) is (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one is CCC1(C)CCCN(C(=O)[C@H](C)N)C1.
What is the InChIKey of (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is SNAVUAAWBVNWQP-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-11(3)6-5-7-13(8-11)10(14)9(2)12/h9H,4-8,12H2,1-3H3/t9-,11?/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one?
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 130762944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).