2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine

C16H18ClN3O — CID 117230889

IUPAC2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine
SMILESClc1ccc(-c2ncc(OCC3CCCCN3)cn2)cc1
InChIInChI=1S/C16H18ClN3O/c17-13-6-4-12(5-7-13)16-19-9-15(10-20-16)21-11-14-3-1-2-8-18-14/h4-7,9-10,14,18H,1-3,8,11H2
InChIKeyZXRIRIHZMPWVTP-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.32
Rot. Bonds4

About 2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine

2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine (PubChem CID 117230889) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine
PubChem CID117230889
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine
SMILESClc1ccc(-c2ncc(OCC3CCCCN3)cn2)cc1
InChIInChI=1S/C16H18ClN3O/c17-13-6-4-12(5-7-13)16-19-9-15(10-20-16)21-11-14-3-1-2-8-18-14/h4-7,9-10,14,18H,1-3,8,11H2
InChIKeyZXRIRIHZMPWVTP-UHFFFAOYSA-N
XLogP3.32
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(piperidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998972
4-[5-(pyrrolidin-2-ylmethoxy)pyrimidin-2-yl]phenol
CID 136998970
3-(4-chlorophenyl)-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyridine
CID 54162908
2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 22456719
(2R)-2-[(3,4-dichlorophenoxy)methyl]pyrrolidine
CID 102820118
3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole
CID 82626563
2-chloro-3-(6-fluoro-3-pyridinyl)-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 11197577
2-chloro-3-phenyl-5-(pyrrolidin-2-ylmethoxy)pyridine
CID 18458735
3-chloro-6-[[(2R)-piperidin-2-yl]methoxy]pyridazine
CID 94407353
3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 10535320
5-chloro-4-(piperidin-2-ylmethoxy)pyrimidine
CID 105370446
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine (CID 117230889) is 2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine is Clc1ccc(-c2ncc(OCC3CCCCN3)cn2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine?
The InChIKey is ZXRIRIHZMPWVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-13-6-4-12(5-7-13)16-19-9-15(10-20-16)21-11-14-3-1-2-8-18-14/h4-7,9-10,14,18H,1-3,8,11H2.
What are the key properties of 2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine?
2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine has a molecular weight of 303.79 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(piperidin-2-ylmethoxy)pyrimidine is sourced from PubChem (CID 117230889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).