1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine

C17H28N2O — CID 83134267

IUPAC1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine
SMILESCc1cc(OCCC(C)C)ccc1N1CCC(N)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)8-11-20-16-4-5-17(14(3)12-16)19-9-6-15(18)7-10-19/h4-5,12-13,15H,6-11,18H2,1-3H3
InChIKeyXGZDGCRGKBPCKP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.35
Rot. Bonds5

About 1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine

1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine (PubChem CID 83134267) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine
PubChem CID83134267
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine
SMILESCc1cc(OCCC(C)C)ccc1N1CCC(N)CC1
InChIInChI=1S/C17H28N2O/c1-13(2)8-11-20-16-4-5-17(14(3)12-16)19-9-6-15(18)7-10-19/h4-5,12-13,15H,6-11,18H2,1-3H3
InChIKeyXGZDGCRGKBPCKP-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine (CID 83134267) is 1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine is Cc1cc(OCCC(C)C)ccc1N1CCC(N)CC1.
What is the InChIKey of 1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine?
The InChIKey is XGZDGCRGKBPCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(2)8-11-20-16-4-5-17(14(3)12-16)19-9-6-15(18)7-10-19/h4-5,12-13,15H,6-11,18H2,1-3H3.
What are the key properties of 1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine?
1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine has a molecular weight of 276.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(3-methylbutoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 83134267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).