4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine

C12H18ClN3O — CID 97163561

IUPAC4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine
SMILESClc1cc(OCCC[C@H]2CCCNC2)ncn1
InChIInChI=1S/C12H18ClN3O/c13-11-7-12(16-9-15-11)17-6-2-4-10-3-1-5-14-8-10/h7,9-10,14H,1-6,8H2/t10-/m1/s1
InChIKeyPRLAFADMUHUTGJ-SNVBAGLBSA-N
MW255.75 g/mol
LogP2.29
Rot. Bonds5

About 4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine

4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine (PubChem CID 97163561) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine
PubChem CID97163561
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine
SMILESClc1cc(OCCC[C@H]2CCCNC2)ncn1
InChIInChI=1S/C12H18ClN3O/c13-11-7-12(16-9-15-11)17-6-2-4-10-3-1-5-14-8-10/h7,9-10,14H,1-6,8H2/t10-/m1/s1
InChIKeyPRLAFADMUHUTGJ-SNVBAGLBSA-N
XLogP2.29
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 ≤ 52.29
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

4-chloro-6-[3-[(3S)-piperidin-3-yl]propoxy]pyrimidine
CID 97163560
4-chloro-6-(3-piperidin-4-ylpropoxy)pyrimidine;hydrochloride
CID 71639859
4-methyl-2-(3-piperidin-3-ylpropoxy)pyridine;hydrochloride
CID 71638615
2-[3-[(3R)-piperidin-3-yl]propoxy]pyrazine
CID 97178299
6-chloro-N-[[(3S)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 86318064
4-chloro-6-[2-[(2S)-piperidin-2-yl]ethoxy]pyrimidine
CID 86321830
3-chloro-6-[3-[(3S)-piperidin-3-yl]propoxymethyl]pyridazine
CID 97164075
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97164469
2,4-dichloro-5-[3-[(3R)-piperidin-3-yl]propoxymethyl]pyrimidine
CID 97163874
3-chloro-2-(2-piperidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 62358361
3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
CID 94409728

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine?
The IUPAC name of 4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine (CID 97163561) is 4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine.
What is the SMILES notation for 4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine?
The canonical SMILES for 4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine is Clc1cc(OCCC[C@H]2CCCNC2)ncn1.
What is the InChIKey of 4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine?
The InChIKey is PRLAFADMUHUTGJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-11-7-12(16-9-15-11)17-6-2-4-10-3-1-5-14-8-10/h7,9-10,14H,1-6,8H2/t10-/m1/s1.
What are the key properties of 4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine?
4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine has a molecular weight of 255.75 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[3-[(3R)-piperidin-3-yl]propoxy]pyrimidine is sourced from PubChem (CID 97163561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).