1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol

C9H11Cl2N3O — CID 130569673

IUPAC1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2cc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C9H11Cl2N3O/c10-7-5-8(13-9(11)12-7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2
InChIKeyFMHUATRTCKSPAM-UHFFFAOYSA-N
MW248.11 g/mol
LogP1.74
Rot. Bonds1

About 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol

1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol (PubChem CID 130569673) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
PubChem CID130569673
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2cc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C9H11Cl2N3O/c10-7-5-8(13-9(11)12-7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2
InChIKeyFMHUATRTCKSPAM-UHFFFAOYSA-N
XLogP1.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-Dichloropyrimidin-4-yl)morpholine
CID 11586699
4-Chloro-6-piperidin-1-yl-pyrimidin-2-ylamine
CID 1484289
4,6-Dichloro-2-(piperidin-1-yl)pyrimidine
CID 231258
[1-(6-Chloropyrimidin-4-yl)piperidin-3-yl]methanol
CID 22309478
2-(4-(6-Chloro-2-methylpyrimidin-4-yl)piperazin-1-yl)ethanol
CID 14479558
[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 106766891
(3S)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-ol
CID 124681432
1-(6-Chloropyrimidin-4-yl)-3-(fluoromethyl)-3-methylpiperidin-4-ol
CID 156640978
2,4-Dichloro-6-(4-fluoropiperidin-1-yl)pyrimidine
CID 164651205
2-[1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]ethanol
CID 106767018
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-ol
CID 106767029
1-[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-ol
CID 106767188

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol (CID 130569673) is 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol is OC1CCN(c2cc(Cl)nc(Cl)n2)CC1.
What is the InChIKey of 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol?
The InChIKey is FMHUATRTCKSPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c10-7-5-8(13-9(11)12-7)14-3-1-6(15)2-4-14/h5-6,15H,1-4H2.
What are the key properties of 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol?
1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol has a molecular weight of 248.11 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 130569673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).