4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine

C12H17ClN2 — CID 63387556

IUPAC4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
SMILESClCC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C12H17ClN2/c13-9-11-3-7-15(8-4-11)10-12-1-5-14-6-2-12/h1-2,5-6,11H,3-4,7-10H2
InChIKeySSBRVTMPIGHBPQ-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.53
Rot. Bonds3

About 4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine

4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine (PubChem CID 63387556) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
PubChem CID63387556
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
SMILESClCC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C12H17ClN2/c13-9-11-3-7-15(8-4-11)10-12-1-5-14-6-2-12/h1-2,5-6,11H,3-4,7-10H2
InChIKeySSBRVTMPIGHBPQ-UHFFFAOYSA-N
XLogP2.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine 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

Paraquat dichloride
CID 15938
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
Paraquat
CID 15939
4,4'-Bipyridine
CID 11107
4-Ethylpyridine
CID 10822
4-Pyridinemethanamine
CID 77317
3-(Chloromethyl)pyridine hydrochloride
CID 23394
4-(2-Pyrrolidinoethyl)pyridine
CID 238432
1,3-Bis(4-pyridyl)propane
CID 87019
4-Isopropylpyridine
CID 69674
4-[2-(1-Piperidinyl)ethyl]pyridine
CID 83476

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine?
The IUPAC name of 4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine (CID 63387556) is 4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine is ClCC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of 4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine?
The InChIKey is SSBRVTMPIGHBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-9-11-3-7-15(8-4-11)10-12-1-5-14-6-2-12/h1-2,5-6,11H,3-4,7-10H2.
What are the key properties of 4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine?
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine has a molecular weight of 224.73 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 63387556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).