1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine

C19H21N3O — CID 122154060

IUPAC1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine
SMILESc1ccc(CNC2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C19H21N3O/c1-2-6-15(7-3-1)14-20-16-10-12-22(13-11-16)19-21-17-8-4-5-9-18(17)23-19/h1-9,16,20H,10-14H2
InChIKeyUXLUCVGEZVGSAW-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.59
Rot. Bonds4

About 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine

1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine (PubChem CID 122154060) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine
PubChem CID122154060
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine
SMILESc1ccc(CNC2CCN(c3nc4ccccc4o3)CC2)cc1
InChIInChI=1S/C19H21N3O/c1-2-6-15(7-3-1)14-20-16-10-12-22(13-11-16)19-21-17-8-4-5-9-18(17)23-19/h1-9,16,20H,10-14H2
InChIKeyUXLUCVGEZVGSAW-UHFFFAOYSA-N
XLogP3.59
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 115307563
2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol
CID 146081262
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea
CID 121109523
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 121108011
N-[[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 62586348
1-(1,3-benzoxazol-2-yl)-N-[2-(triazolidin-4-ylsulfanyl)ethyl]piperidin-4-amine
CID 134080613
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidine-3-carboxamide
CID 3622789
1-(1,3-benzoxazol-2-yl)-N-[2-(cycloheptylamino)ethyl]piperidine-4-carboxamide
CID 119620972
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole
CID 155569925
N-benzyl-1-methylpiperidin-4-amine
CID 1114650
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine (CID 122154060) is 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine is c1ccc(CNC2CCN(c3nc4ccccc4o3)CC2)cc1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine?
The InChIKey is UXLUCVGEZVGSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-6-15(7-3-1)14-20-16-10-12-22(13-11-16)19-21-17-8-4-5-9-18(17)23-19/h1-9,16,20H,10-14H2.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine?
1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine has a molecular weight of 307.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine is sourced from PubChem (CID 122154060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).