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

C16H24N2O2 — CID 63564203

IUPAC1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine
SMILESCc1cc(N2CCCC(N)C2)ccc1OC1CCOC1
InChIInChI=1S/C16H24N2O2/c1-12-9-14(18-7-2-3-13(17)10-18)4-5-16(12)20-15-6-8-19-11-15/h4-5,9,13,15H,2-3,6-8,10-11,17H2,1H3
InChIKeyWCXAIFUHVSOQQB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.09
Rot. Bonds3

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

1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine (PubChem CID 63564203) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine
PubChem CID63564203
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine
SMILESCc1cc(N2CCCC(N)C2)ccc1OC1CCOC1
InChIInChI=1S/C16H24N2O2/c1-12-9-14(18-7-2-3-13(17)10-18)4-5-16(12)20-15-6-8-19-11-15/h4-5,9,13,15H,2-3,6-8,10-11,17H2,1H3
InChIKeyWCXAIFUHVSOQQB-UHFFFAOYSA-N
XLogP2.09
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.09
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-(oxan-4-yloxy)phenyl]piperidin-3-amine
CID 63937111
1-(3-methyl-4-propan-2-yloxyphenyl)piperidin-3-amine
CID 55162884
1-[3-methyl-4-(oxan-3-yloxy)phenyl]-1,4-diazepane
CID 107137317
1-[4-(cyclobutylmethoxy)-3-methylphenyl]piperidin-3-amine
CID 65461452
1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine
CID 65180462
1-[4-(2-ethylbutoxy)-3-methylphenyl]piperidin-3-amine
CID 82925713
1-[3-methyl-4-(2-propan-2-yloxyethoxy)phenyl]piperidin-3-amine
CID 63214611
1-(4-cyclohexyloxy-3-methylphenyl)piperidin-4-amine
CID 63214524
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]piperidin-4-amine
CID 63563818
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
CID 82038542
1-(3,4-dichlorophenyl)piperidin-3-amine
CID 62537230
1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine
CID 107137312

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine?
The IUPAC name of 1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine (CID 63564203) is 1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine?
The canonical SMILES for 1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine is Cc1cc(N2CCCC(N)C2)ccc1OC1CCOC1.
What is the InChIKey of 1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine?
The InChIKey is WCXAIFUHVSOQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-9-14(18-7-2-3-13(17)10-18)4-5-16(12)20-15-6-8-19-11-15/h4-5,9,13,15H,2-3,6-8,10-11,17H2,1H3.
What are the key properties of 1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine?
1-[3-methyl-4-(oxolan-3-yloxy)phenyl]piperidin-3-amine has a molecular weight of 276.38 g/mol, XLogP of 2.09, 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-(oxolan-3-yloxy)phenyl]piperidin-3-amine is sourced from PubChem (CID 63564203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).