1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine

C16H26N2O2 — CID 83134817

IUPAC1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine
SMILESCOCCCOc1ccc(N2CCC(N)CC2)c(C)c1
InChIInChI=1S/C16H26N2O2/c1-13-12-15(20-11-3-10-19-2)4-5-16(13)18-8-6-14(17)7-9-18/h4-5,12,14H,3,6-11,17H2,1-2H3
InChIKeyGBASICCVEPXYPR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.34
Rot. Bonds6

About 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine

1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine (PubChem CID 83134817) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine
PubChem CID83134817
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine
SMILESCOCCCOc1ccc(N2CCC(N)CC2)c(C)c1
InChIInChI=1S/C16H26N2O2/c1-13-12-15(20-11-3-10-19-2)4-5-16(13)18-8-6-14(17)7-9-18/h4-5,12,14H,3,6-11,17H2,1-2H3
InChIKeyGBASICCVEPXYPR-UHFFFAOYSA-N
XLogP2.34
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine?
The IUPAC name of 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine (CID 83134817) is 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine?
The canonical SMILES for 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine is COCCCOc1ccc(N2CCC(N)CC2)c(C)c1.
What is the InChIKey of 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine?
The InChIKey is GBASICCVEPXYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-12-15(20-11-3-10-19-2)4-5-16(13)18-8-6-14(17)7-9-18/h4-5,12,14H,3,6-11,17H2,1-2H3.
What are the key properties of 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine?
1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine is sourced from PubChem (CID 83134817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).