4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine

C12H20ClN3 — CID 114531735

IUPAC4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
SMILESCn1ccnc1CCN1CCC(CCl)CC1
InChIInChI=1S/C12H20ClN3/c1-15-9-5-14-12(15)4-8-16-6-2-11(10-13)3-7-16/h5,9,11H,2-4,6-8,10H2,1H3
InChIKeySZUNPMWDPVOLKX-UHFFFAOYSA-N
MW241.77 g/mol
LogP1.91
Rot. Bonds4

About 4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine

4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine (PubChem CID 114531735) has the molecular formula C12H20ClN3 and a molecular weight of 241.77 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
PubChem CID114531735
Molecular FormulaC12H20ClN3
Molecular Weight241.77 g/mol
Exact Mass241.13
IUPAC Name4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
SMILESCn1ccnc1CCN1CCC(CCl)CC1
InChIInChI=1S/C12H20ClN3/c1-15-9-5-14-12(15)4-8-16-6-2-11(10-13)3-7-16/h5,9,11H,2-4,6-8,10H2,1H3
InChIKeySZUNPMWDPVOLKX-UHFFFAOYSA-N
XLogP1.91
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-3-ol
CID 102959658
2-(chloromethyl)-4-[2-(1-methylimidazol-2-yl)ethyl]morpholine
CID 114531807
4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide
CID 131911270
1-[2-(1-methylimidazol-2-yl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 134698250
3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-amine
CID 114526097
5-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]pyridin-2-amine
CID 114528274
1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 42518255
N,6-dimethyl-N-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889453
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241
2-methyl-2-[4-[2-(1-methylimidazol-2-yl)ethyl]piperazin-1-yl]propan-1-amine
CID 114527386
2-ethoxy-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 131943217
1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899618

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine?
The IUPAC name of 4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine (CID 114531735) is 4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine.
What is the SMILES notation for 4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine?
The canonical SMILES for 4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine is Cn1ccnc1CCN1CCC(CCl)CC1.
What is the InChIKey of 4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine?
The InChIKey is SZUNPMWDPVOLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3/c1-15-9-5-14-12(15)4-8-16-6-2-11(10-13)3-7-16/h5,9,11H,2-4,6-8,10H2,1H3.
What are the key properties of 4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine?
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine has a molecular weight of 241.77 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine is sourced from PubChem (CID 114531735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).