6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine

C18H25N3O — CID 134567919

IUPAC6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine
SMILESCC1=C(N)C(c2ccccc2)CCN=C1OC1CCNCC1
InChIInChI=1S/C18H25N3O/c1-13-17(19)16(14-5-3-2-4-6-14)9-12-21-18(13)22-15-7-10-20-11-8-15/h2-6,15-16,20H,7-12,19H2,1H3
InChIKeyQPHRTEQQXYWAQG-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.57
Rot. Bonds2

About 6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine

6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine (PubChem CID 134567919) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine.

Molecular Properties

Compound Name6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine
PubChem CID134567919
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine
SMILESCC1=C(N)C(c2ccccc2)CCN=C1OC1CCNCC1
InChIInChI=1S/C18H25N3O/c1-13-17(19)16(14-5-3-2-4-6-14)9-12-21-18(13)22-15-7-10-20-11-8-15/h2-6,15-16,20H,7-12,19H2,1H3
InChIKeyQPHRTEQQXYWAQG-UHFFFAOYSA-N
XLogP2.57
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine?
The IUPAC name of 6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine (CID 134567919) is 6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine.
What is the SMILES notation for 6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine?
The canonical SMILES for 6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine is CC1=C(N)C(c2ccccc2)CCN=C1OC1CCNCC1.
What is the InChIKey of 6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine?
The InChIKey is QPHRTEQQXYWAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-17(19)16(14-5-3-2-4-6-14)9-12-21-18(13)22-15-7-10-20-11-8-15/h2-6,15-16,20H,7-12,19H2,1H3.
What are the key properties of 6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine?
6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine has a molecular weight of 299.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-phenyl-7-piperidin-4-yloxy-3,4-dihydro-2H-azepin-5-amine is sourced from PubChem (CID 134567919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).