4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine

C11H22ClNO — CID 106837993

IUPAC4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine
SMILESCOC(C)CN1CCC(C(C)Cl)CC1
InChIInChI=1S/C11H22ClNO/c1-9(14-3)8-13-6-4-11(5-7-13)10(2)12/h9-11H,4-8H2,1-3H3
InChIKeyQOELZNLDIYYNMA-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.36
Rot. Bonds4

About 4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine

4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine (PubChem CID 106837993) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine.

Molecular Properties

Compound Name4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine
PubChem CID106837993
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine
SMILESCOC(C)CN1CCC(C(C)Cl)CC1
InChIInChI=1S/C11H22ClNO/c1-9(14-3)8-13-6-4-11(5-7-13)10(2)12/h9-11H,4-8H2,1-3H3
InChIKeyQOELZNLDIYYNMA-UHFFFAOYSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-chloroethyl)-1-(cyclopropylmethyl)piperidine
CID 106837974
4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
CID 106837967
1-(2-methoxypropyl)-3-methylpiperidin-4-ol
CID 114502642
2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 106115086
1-[1-(2-methoxypropyl)piperidin-4-yl]imidazolidin-2-one
CID 18340088
4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine
CID 106838031
3-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-2-ol
CID 103501727
2-chloro-3-(4-propan-2-ylpiperidin-1-yl)propanenitrile
CID 103495595
1-(2,2-dimethoxyethyl)piperidin-4-amine
CID 66221486
4-(1-chloroethyl)-1-(2-propylsulfonylethyl)piperidine
CID 106838183
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(1-chloroethyl)piperidine
CID 106838166
4-chloro-1-(2-methoxypropyl)-3,3-dimethylpyrrolidine
CID 130863604

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine?
The IUPAC name of 4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine (CID 106837993) is 4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine.
What is the SMILES notation for 4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine?
The canonical SMILES for 4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine is COC(C)CN1CCC(C(C)Cl)CC1.
What is the InChIKey of 4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine?
The InChIKey is QOELZNLDIYYNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-9(14-3)8-13-6-4-11(5-7-13)10(2)12/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine?
4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine has a molecular weight of 219.76 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine is sourced from PubChem (CID 106837993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).