2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride

C14H24ClN3O — CID 142664558

IUPAC2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride
SMILESCc1nccc(OCCCCN2CCCCC2)n1.Cl
InChIInChI=1S/C14H23N3O.ClH/c1-13-15-8-7-14(16-13)18-12-6-5-11-17-9-3-2-4-10-17;/h7-8H,2-6,9-12H2,1H3;1H
InChIKeyXZABFKXCJLWWIZ-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.85
Rot. Bonds6

About 2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride

2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride (PubChem CID 142664558) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride.

Molecular Properties

Compound Name2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride
PubChem CID142664558
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride
SMILESCc1nccc(OCCCCN2CCCCC2)n1.Cl
InChIInChI=1S/C14H23N3O.ClH/c1-13-15-8-7-14(16-13)18-12-6-5-11-17-9-3-2-4-10-17;/h7-8H,2-6,9-12H2,1H3;1H
InChIKeyXZABFKXCJLWWIZ-UHFFFAOYSA-N
XLogP2.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride 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

4-methyl-6-(4-piperidin-1-ylbutoxy)pyrimidine
CID 142664562
2,3,7,8-tetrakis[4-(4-piperidin-1-ylbutoxy)phenyl]pyrazino[2,3-g]quinoxaline
CID 163198870
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722
1-[4-(2,3,6-trimethylphenoxy)butyl]piperidine
CID 2262772
2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
CID 122585506
1-[4-(3,4-dimethylphenoxy)butyl]azepane
CID 2194954
2-(azepan-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62748782
4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride
CID 135549351
1-[5-(4-chlorophenoxy)pentyl]azepane
CID 127038670
1-[10-(4-chlorophenoxy)decyl]piperidine
CID 70510591
[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]hydrazine
CID 80920622
N-ethyl-N-[[4-(5-pyrrolidin-1-ylpentoxy)phenyl]methyl]ethanamine
CID 46890597

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride?
The IUPAC name of 2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride (CID 142664558) is 2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride.
What is the SMILES notation for 2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride?
The canonical SMILES for 2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride is Cc1nccc(OCCCCN2CCCCC2)n1.Cl.
What is the InChIKey of 2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride?
The InChIKey is XZABFKXCJLWWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.ClH/c1-13-15-8-7-14(16-13)18-12-6-5-11-17-9-3-2-4-10-17;/h7-8H,2-6,9-12H2,1H3;1H.
What are the key properties of 2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride?
2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-piperidin-1-ylbutoxy)pyrimidine;hydrochloride is sourced from PubChem (CID 142664558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).