4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine

C15H16ClN3O — CID 93480995

IUPAC4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine
SMILESClc1cc(N2CCC[C@@H](Oc3ccccc3)C2)ncn1
InChIInChI=1S/C15H16ClN3O/c16-14-9-15(18-11-17-14)19-8-4-7-13(10-19)20-12-5-2-1-3-6-12/h1-3,5-6,9,11,13H,4,7-8,10H2/t13-/m1/s1
InChIKeyYIEXKFVYPNEROK-CYBMUJFWSA-N
MW289.77 g/mol
LogP3.18
Rot. Bonds3

About 4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine

4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine (PubChem CID 93480995) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine
PubChem CID93480995
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine
SMILESClc1cc(N2CCC[C@@H](Oc3ccccc3)C2)ncn1
InChIInChI=1S/C15H16ClN3O/c16-14-9-15(18-11-17-14)19-8-4-7-13(10-19)20-12-5-2-1-3-6-12/h1-3,5-6,9,11,13H,4,7-8,10H2/t13-/m1/s1
InChIKeyYIEXKFVYPNEROK-CYBMUJFWSA-N
XLogP3.18
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-phenoxy-1-phenylpiperidine
CID 153196970
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399
4-ethyl-6-[(3R)-3-phenylmethoxypiperidin-1-yl]pyrimidine
CID 97200713
(3aR,6aR)-2-(6-chloropyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129380883
2-(3-phenoxypiperidin-1-yl)pyrimidine-5-sulfonamide
CID 167876169
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
N-(cyclopropylmethyl)-6-(4-phenoxypiperidin-1-yl)pyrimidin-4-amine
CID 126813706
6-chloro-2-(3-pyridin-3-yloxypiperidin-1-yl)quinoxaline
CID 166603714
4-chloro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 22309693
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
4-chloro-7-[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]oxyquinazoline
CID 175670707
2-(3-phenoxypiperidin-1-yl)-7H-purin-6-amine
CID 167752337

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine (CID 93480995) is 4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine is Clc1cc(N2CCC[C@@H](Oc3ccccc3)C2)ncn1.
What is the InChIKey of 4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine?
The InChIKey is YIEXKFVYPNEROK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-14-9-15(18-11-17-14)19-8-4-7-13(10-19)20-12-5-2-1-3-6-12/h1-3,5-6,9,11,13H,4,7-8,10H2/t13-/m1/s1.
What are the key properties of 4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine?
4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine has a molecular weight of 289.77 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3R)-3-phenoxypiperidin-1-yl]pyrimidine is sourced from PubChem (CID 93480995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).