(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone

C16H21ClN2O2 — CID 97189656

IUPAC(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C1CN(C(=O)c2ccc(Cl)cc2O)C1
InChIInChI=1S/C16H21ClN2O2/c1-11-4-2-3-7-19(11)13-9-18(10-13)16(21)14-6-5-12(17)8-15(14)20/h5-6,8,11,13,20H,2-4,7,9-10H2,1H3/t11-/m1/s1
InChIKeySEZBHYZBYUSKOA-LLVKDONJSA-N
MW308.81 g/mol
LogP2.74
Rot. Bonds2

About (4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone

(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone (PubChem CID 97189656) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is (4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
PubChem CID97189656
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
SMILESC[C@@H]1CCCCN1C1CN(C(=O)c2ccc(Cl)cc2O)C1
InChIInChI=1S/C16H21ClN2O2/c1-11-4-2-3-7-19(11)13-9-18(10-13)16(21)14-6-5-12(17)8-15(14)20/h5-6,8,11,13,20H,2-4,7,9-10H2,1H3/t11-/m1/s1
InChIKeySEZBHYZBYUSKOA-LLVKDONJSA-N
XLogP2.74
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227
(4-chloro-2-hydroxyphenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60975104
(4-chloro-2-hydroxyphenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63621212
2-(4-chloro-2-hydroxybenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863557
(4-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916566
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566
5-[3-(2-methylpiperidin-1-yl)azetidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 162632260
(4-chloro-2-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204723
(4-chloro-2-hydroxyphenyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 79026063
(4-chloro-2-hydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697914
(4-chloro-2-hydroxyphenyl)-[4-(dimethylamino)azepan-1-yl]methanone
CID 56890134

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of (4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone (CID 97189656) is (4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for (4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone is C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(Cl)cc2O)C1.
What is the InChIKey of (4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone?
The InChIKey is SEZBHYZBYUSKOA-LLVKDONJSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11-4-2-3-7-19(11)13-9-18(10-13)16(21)14-6-5-12(17)8-15(14)20/h5-6,8,11,13,20H,2-4,7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of (4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone?
(4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone has a molecular weight of 308.81 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-hydroxyphenyl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 97189656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).