N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine

C17H23N3O — CID 103625283

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine
SMILESCc1noc(C)c1CNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H23N3O/c1-13-17(14(2)21-19-13)12-18-15-8-10-20(11-9-15)16-6-4-3-5-7-16/h3-7,15,18H,8-12H2,1-2H3
InChIKeyCSDXFAMBYMNGSY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.05
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine (PubChem CID 103625283) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine
PubChem CID103625283
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine
SMILESCc1noc(C)c1CNC1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H23N3O/c1-13-17(14(2)21-19-13)12-18-15-8-10-20(11-9-15)16-6-4-3-5-7-16/h3-7,15,18H,8-12H2,1-2H3
InChIKeyCSDXFAMBYMNGSY-UHFFFAOYSA-N
XLogP3.05
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 79231652
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675430
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine
CID 56705521
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylpiperidin-4-amine
CID 43215966
(3S)-1-(4-chloro-3-fluorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 97337780
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64738720
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103096785
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-phenylpiperidin-4-amine
CID 103625271
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]piperidin-1-yl]-thiophen-2-ylmethanone
CID 56715058
N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103778062
N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpiperidin-4-amine
CID 103778023
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-propylsulfonylpiperidin-4-amine
CID 43748006

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine (CID 103625283) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine is Cc1noc(C)c1CNC1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine?
The InChIKey is CSDXFAMBYMNGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-17(14(2)21-19-13)12-18-15-8-10-20(11-9-15)16-6-4-3-5-7-16/h3-7,15,18H,8-12H2,1-2H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenylpiperidin-4-amine is sourced from PubChem (CID 103625283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).