(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one

C8H15ClN2O — CID 66564392

IUPAC(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(Cl)CC1
InChIInChI=1S/C8H15ClN2O/c1-6(10)8(12)11-4-2-7(9)3-5-11/h6-7H,2-5,10H2,1H3/t6-/m0/s1
InChIKeyMNSZKJHJJYSRAK-LURJTMIESA-N
MW190.67 g/mol
LogP0.56
Rot. Bonds1

About (2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one

(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one (PubChem CID 66564392) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
PubChem CID66564392
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
SMILESC[C@H](N)C(=O)N1CCC(Cl)CC1
InChIInChI=1S/C8H15ClN2O/c1-6(10)8(12)11-4-2-7(9)3-5-11/h6-7H,2-5,10H2,1H3/t6-/m0/s1
InChIKeyMNSZKJHJJYSRAK-LURJTMIESA-N
XLogP0.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
2-amino-1-(3-chloropiperidin-1-yl)propan-1-one
CID 77143696
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
[1-[(2S)-2-aminopropanoyl]piperidin-4-yl] acetate
CID 67663006
(2S)-2-amino-1-(4-cyclopentyloxypiperidin-1-yl)propan-1-one
CID 119312938
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484454
(2S)-2-amino-1-(azetidin-1-yl)propan-1-one;hydrochloride
CID 53484456
1-(4-chloropiperidin-1-yl)-2-methylsulfonylpropan-1-one
CID 104522220
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one (CID 66564392) is (2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one is C[C@H](N)C(=O)N1CCC(Cl)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one?
The InChIKey is MNSZKJHJJYSRAK-LURJTMIESA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-6(10)8(12)11-4-2-7(9)3-5-11/h6-7H,2-5,10H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one?
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one has a molecular weight of 190.67 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one is sourced from PubChem (CID 66564392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).