2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine

C12H18ClN3O — CID 97163934

IUPAC2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine
SMILESClc1nccc(COCC[C@H]2CCCCN2)n1
InChIInChI=1S/C12H18ClN3O/c13-12-15-7-4-11(16-12)9-17-8-5-10-3-1-2-6-14-10/h4,7,10,14H,1-3,5-6,8-9H2/t10-/m1/s1
InChIKeyPGAAQEQWQKYOJK-SNVBAGLBSA-N
MW255.75 g/mol
LogP2.18
Rot. Bonds5

About 2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine

2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine (PubChem CID 97163934) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine
PubChem CID97163934
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine
SMILESClc1nccc(COCC[C@H]2CCCCN2)n1
InChIInChI=1S/C12H18ClN3O/c13-12-15-7-4-11(16-12)9-17-8-5-10-3-1-2-6-14-10/h4,7,10,14H,1-3,5-6,8-9H2/t10-/m1/s1
InChIKeyPGAAQEQWQKYOJK-SNVBAGLBSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(piperidin-2-ylmethoxymethyl)pyrimidine
CID 71640519
2-chloro-4-[[(2S)-piperidin-2-yl]methoxymethyl]pyrimidine
CID 97163927
2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829905
2-[2-[(2,5-dichlorophenyl)methoxy]ethyl]piperidine
CID 65317213
2-[3-[(2S)-piperidin-2-yl]propoxymethyl]pyrazine
CID 97178348
2-[2-[(4-methoxyphenyl)methoxy]ethyl]piperidine
CID 56830572
N-[(2-chloropyrimidin-4-yl)methyl]-N-methyl-1-pyrrolidin-2-ylmethanamine;hydrochloride
CID 71642060
2-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrazine
CID 86321843
2-(2-piperidin-2-ylethoxy)-4-(trifluoromethyl)pyrimidine
CID 64585870
2-[2-[(4-iodophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56830523
(2R)-2-[2-[(2,6-difluorophenyl)methoxy]ethyl]piperidine
CID 86321767
2-[2-[(4-propan-2-ylphenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine?
The IUPAC name of 2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine (CID 97163934) is 2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine?
The canonical SMILES for 2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine is Clc1nccc(COCC[C@H]2CCCCN2)n1.
What is the InChIKey of 2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine?
The InChIKey is PGAAQEQWQKYOJK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-12-15-7-4-11(16-12)9-17-8-5-10-3-1-2-6-14-10/h4,7,10,14H,1-3,5-6,8-9H2/t10-/m1/s1.
What are the key properties of 2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine?
2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine has a molecular weight of 255.75 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-[(2R)-piperidin-2-yl]ethoxymethyl]pyrimidine is sourced from PubChem (CID 97163934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).