1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine

C17H26N2O2 — CID 63937111

IUPAC1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine
SMILESCc1cc(N2CCCC(N)C2)ccc1OC1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-13-11-15(19-8-2-3-14(18)12-19)4-5-17(13)21-16-6-9-20-10-7-16/h4-5,11,14,16H,2-3,6-10,12,18H2,1H3
InChIKeyVVRZYBQVSSOLRO-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.48
Rot. Bonds3

About 1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine

1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine (PubChem CID 63937111) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine
PubChem CID63937111
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine
SMILESCc1cc(N2CCCC(N)C2)ccc1OC1CCOCC1
InChIInChI=1S/C17H26N2O2/c1-13-11-15(19-8-2-3-14(18)12-19)4-5-17(13)21-16-6-9-20-10-7-16/h4-5,11,14,16H,2-3,6-10,12,18H2,1H3
InChIKeyVVRZYBQVSSOLRO-UHFFFAOYSA-N
XLogP2.48
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(oxolan-3-yloxy)phenyl]piperidin-3-amine
CID 63564203
1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine
CID 65461452
1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine
CID 55162884
1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine
CID 63214524
1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine
CID 82925713
1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine
CID 65180462
1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine
CID 63214611
1-(4-methylphenyl)azepan-3-amine
CID 84672656
1-[3-methyl-4-(oxan-3-yloxy)phenyl]-1,4-diazepane
CID 107137317
N-(2-methyl-4-pyrrolidin-1-ylphenyl)oxan-4-amine
CID 43682374
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
CID 82038542
1-[4-(methylamino)phenyl]piperidin-3-amine
CID 171622540

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine?
The IUPAC name of 1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine (CID 63937111) is 1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine?
The canonical SMILES for 1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine is Cc1cc(N2CCCC(N)C2)ccc1OC1CCOCC1.
What is the InChIKey of 1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine?
The InChIKey is VVRZYBQVSSOLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-11-15(19-8-2-3-14(18)12-19)4-5-17(13)21-16-6-9-20-10-7-16/h4-5,11,14,16H,2-3,6-10,12,18H2,1H3.
What are the key properties of 1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine?
1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine has a molecular weight of 290.41 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(oxan-4-yloxy)phenyl]piperidin-3-amine is sourced from PubChem (CID 63937111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).