(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one

C10H18ClNO2 — CID 129410243

IUPAC(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](Cl)C(=O)N1CCC([C@@H](C)O)CC1
InChIInChI=1S/C10H18ClNO2/c1-7(11)10(14)12-5-3-9(4-6-12)8(2)13/h7-9,13H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyJCXMVDZSMIRKRT-HTQZYQBOSA-N
MW219.71 g/mol
LogP1.23
Rot. Bonds2

About (2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one

(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one (PubChem CID 129410243) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is (2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
PubChem CID129410243
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
SMILESC[C@@H](Cl)C(=O)N1CCC([C@@H](C)O)CC1
InChIInChI=1S/C10H18ClNO2/c1-7(11)10(14)12-5-3-9(4-6-12)8(2)13/h7-9,13H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyJCXMVDZSMIRKRT-HTQZYQBOSA-N
XLogP1.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.23
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-chloro-1-(4-fluoropiperidin-1-yl)propan-1-one
CID 121200830
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 175316755
(2R)-2-chloro-1-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 129497185
2-chloro-1-[4-(dimethylamino)piperidin-1-yl]propan-1-one
CID 43585925
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoacetic acid
CID 124680668
2-chloro-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103881627
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile
CID 129322323
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835725
2-chloro-1-[4-(1,1-difluoroethyl)piperidin-1-yl]propan-1-one
CID 121202485
ethyl 1-[(2R)-2-chloropropanoyl]piperidine-4-carboxylate
CID 7063284

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one (CID 129410243) is (2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one is C[C@@H](Cl)C(=O)N1CCC([C@@H](C)O)CC1.
What is the InChIKey of (2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
The InChIKey is JCXMVDZSMIRKRT-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-7(11)10(14)12-5-3-9(4-6-12)8(2)13/h7-9,13H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one?
(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one has a molecular weight of 219.71 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129410243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).