1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine

C15H24N2O — CID 55162884

IUPAC1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine
SMILESCc1cc(N2CCCC(N)C2)ccc1OC(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)18-15-7-6-14(9-12(15)3)17-8-4-5-13(16)10-17/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3
InChIKeyMAMRTAREMXJREE-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.71
Rot. Bonds3

About 1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine

1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine (PubChem CID 55162884) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine
PubChem CID55162884
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine
SMILESCc1cc(N2CCCC(N)C2)ccc1OC(C)C
InChIInChI=1S/C15H24N2O/c1-11(2)18-15-7-6-14(9-12(15)3)17-8-4-5-13(16)10-17/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3
InChIKeyMAMRTAREMXJREE-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.71
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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Related Compounds

1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine
CID 63214611
1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine
CID 65461452
1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine
CID 82925713
1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine
CID 63937111
1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine
CID 65180462
1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine
CID 63564203
1-(3,4-dichlorophenyl)piperidin-3-amine
CID 62537230
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
CID 82038542
1-(4-methylphenyl)azepan-3-amine
CID 84672656
1-(3-methoxyphenyl)piperidin-3-amine;dihydrochloride
CID 168974066
1-[4-(methylamino)phenyl]piperidin-3-amine
CID 171622540
2-propan-2-yloxy-4-(3-propoxypiperidin-1-yl)aniline
CID 83004888

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine?
The IUPAC name of 1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine (CID 55162884) is 1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine.
What is the SMILES notation for 1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine?
The canonical SMILES for 1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine is Cc1cc(N2CCCC(N)C2)ccc1OC(C)C.
What is the InChIKey of 1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine?
The InChIKey is MAMRTAREMXJREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)18-15-7-6-14(9-12(15)3)17-8-4-5-13(16)10-17/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3.
What are the key properties of 1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine?
1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine is sourced from PubChem (CID 55162884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).