1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine

C17H26ClNO — CID 142475439

IUPAC1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine
SMILESCOC1CCN(CCC(C)(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClNO/c1-17(2,14-4-6-15(18)7-5-14)10-13-19-11-8-16(20-3)9-12-19/h4-7,16H,8-13H2,1-3H3
InChIKeyRCBDVHPVTLZZQP-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.12
Rot. Bonds5

About 1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine

1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine (PubChem CID 142475439) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine
PubChem CID142475439
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine
SMILESCOC1CCN(CCC(C)(C)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H26ClNO/c1-17(2,14-4-6-15(18)7-5-14)10-13-19-11-8-16(20-3)9-12-19/h4-7,16H,8-13H2,1-3H3
InChIKeyRCBDVHPVTLZZQP-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine?
The IUPAC name of 1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine (CID 142475439) is 1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine?
The canonical SMILES for 1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine is COC1CCN(CCC(C)(C)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine?
The InChIKey is RCBDVHPVTLZZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-17(2,14-4-6-15(18)7-5-14)10-13-19-11-8-16(20-3)9-12-19/h4-7,16H,8-13H2,1-3H3.
What are the key properties of 1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine?
1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine has a molecular weight of 295.85 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-3-methylbutyl]-4-methoxypiperidine is sourced from PubChem (CID 142475439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).