2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine

C15H17ClN4O — CID 163352682

IUPAC2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
SMILESClc1cccnc1OCC1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H17ClN4O/c16-13-5-1-6-17-14(13)21-11-12-4-2-9-20(10-12)15-18-7-3-8-19-15/h1,3,5-8,12H,2,4,9-11H2
InChIKeyVAPAGRXZSCRHJA-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.82
Rot. Bonds4

About 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine

2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine (PubChem CID 163352682) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
PubChem CID163352682
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
SMILESClc1cccnc1OCC1CCCN(c2ncccn2)C1
InChIInChI=1S/C15H17ClN4O/c16-13-5-1-6-17-14(13)21-11-12-4-2-9-20(10-12)15-18-7-3-8-19-15/h1,3,5-8,12H,2,4,9-11H2
InChIKeyVAPAGRXZSCRHJA-UHFFFAOYSA-N
XLogP2.82
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine
CID 163352850
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-5-methylpyrimidine
CID 163354645
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 163352971
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 163352426
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 163351634
4-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 163352973
N-tert-butyl-3-[(3-chloro-2-pyridinyl)oxymethyl]piperidine-1-carboxamide
CID 163353325
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 163353270
3-chloro-2-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
CID 163352657
3-chloro-2-[[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methoxy]pyridine
CID 163354526
2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine
CID 133390624
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 163354080

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine (CID 163352682) is 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine is Clc1cccnc1OCC1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine?
The InChIKey is VAPAGRXZSCRHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-13-5-1-6-17-14(13)21-11-12-4-2-9-20(10-12)15-18-7-3-8-19-15/h1,3,5-8,12H,2,4,9-11H2.
What are the key properties of 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine?
2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine has a molecular weight of 304.78 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 163352682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).