2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine

C14H27ClN2 — CID 107913604

IUPAC2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine
SMILESCN1CCCCC1CCN1CCCCC1CCl
InChIInChI=1S/C14H27ClN2/c1-16-9-4-2-6-13(16)8-11-17-10-5-3-7-14(17)12-15/h13-14H,2-12H2,1H3
InChIKeyDBIFSQCEESAQID-UHFFFAOYSA-N
MW258.84 g/mol
LogP2.95
Rot. Bonds4

About 2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine

2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine (PubChem CID 107913604) has the molecular formula C14H27ClN2 and a molecular weight of 258.84 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine
PubChem CID107913604
Molecular FormulaC14H27ClN2
Molecular Weight258.84 g/mol
Exact Mass258.19
IUPAC Name2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine
SMILESCN1CCCCC1CCN1CCCCC1CCl
InChIInChI=1S/C14H27ClN2/c1-16-9-4-2-6-13(16)8-11-17-10-5-3-7-14(17)12-15/h13-14H,2-12H2,1H3
InChIKeyDBIFSQCEESAQID-UHFFFAOYSA-N
XLogP2.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.84
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine?
The IUPAC name of 2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine (CID 107913604) is 2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine?
The canonical SMILES for 2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine is CN1CCCCC1CCN1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine?
The InChIKey is DBIFSQCEESAQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2/c1-16-9-4-2-6-13(16)8-11-17-10-5-3-7-14(17)12-15/h13-14H,2-12H2,1H3.
What are the key properties of 2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine?
2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine has a molecular weight of 258.84 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine is sourced from PubChem (CID 107913604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).