4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine

C12H24ClNO — CID 106838031

IUPAC4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine
SMILESCOCCC(C)N1CCC(C(C)Cl)CC1
InChIInChI=1S/C12H24ClNO/c1-10(6-9-15-3)14-7-4-12(5-8-14)11(2)13/h10-12H,4-9H2,1-3H3
InChIKeyXMUYIGSOKSAPIX-UHFFFAOYSA-N
MW233.78 g/mol
LogP2.75
Rot. Bonds5

About 4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine

4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine (PubChem CID 106838031) has the molecular formula C12H24ClNO and a molecular weight of 233.78 g/mol. Its IUPAC name is 4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine.

Molecular Properties

Compound Name4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine
PubChem CID106838031
Molecular FormulaC12H24ClNO
Molecular Weight233.78 g/mol
Exact Mass233.15
IUPAC Name4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine
SMILESCOCCC(C)N1CCC(C(C)Cl)CC1
InChIInChI=1S/C12H24ClNO/c1-10(6-9-15-3)14-7-4-12(5-8-14)11(2)13/h10-12H,4-9H2,1-3H3
InChIKeyXMUYIGSOKSAPIX-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.78
LogP ≤ 52.75
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

1-(4-methoxybutan-2-yl)-N-propylpiperidin-4-amine
CID 64605073
1-(4-methoxybutan-2-yl)-4-methylpiperidin-3-ol
CID 103898067
2-[1-(4-methoxybutan-2-yl)piperidin-4-yl]oxyacetic acid
CID 65065379
ethane;1-(4-methoxybutan-2-yl)-3-methylazetidine
CID 145168656
N-ethyl-1-(4-methoxybutan-2-yl)piperidin-3-amine
CID 64605963
3-ethyl-1-(4-methoxybutan-2-yl)piperazine
CID 64953453
1-(4-methoxybutan-2-yl)-N-propylpiperidin-3-amine
CID 64605758
1-hexan-2-yl-4-propan-2-ylpiperidine
CID 67564256
4-(1-chloroethyl)-1-(2-methoxypropyl)piperidine
CID 106837993
N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 64605853
1-(4-methoxybutan-2-yl)-4-methylpiperidine-4-carbonitrile
CID 103993923
[6-(hydroxymethyl)-3-(4-methoxybutan-2-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 138377708

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine?
The IUPAC name of 4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine (CID 106838031) is 4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine.
What is the SMILES notation for 4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine?
The canonical SMILES for 4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine is COCCC(C)N1CCC(C(C)Cl)CC1.
What is the InChIKey of 4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine?
The InChIKey is XMUYIGSOKSAPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO/c1-10(6-9-15-3)14-7-4-12(5-8-14)11(2)13/h10-12H,4-9H2,1-3H3.
What are the key properties of 4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine?
4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine has a molecular weight of 233.78 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-1-(4-methoxybutan-2-yl)piperidine is sourced from PubChem (CID 106838031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).