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

C16H21N3O — CID 115307563

IUPAC1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine
SMILESc1ccc2oc(N3CCC(NCC4CC4)CC3)nc2c1
InChIInChI=1S/C16H21N3O/c1-2-4-15-14(3-1)18-16(20-15)19-9-7-13(8-10-19)17-11-12-5-6-12/h1-4,12-13,17H,5-11H2
InChIKeyVSRDOCVYEYHQTK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds4

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

1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine (PubChem CID 115307563) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine
PubChem CID115307563
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine
SMILESc1ccc2oc(N3CCC(NCC4CC4)CC3)nc2c1
InChIInChI=1S/C16H21N3O/c1-2-4-15-14(3-1)18-16(20-15)19-9-7-13(8-10-19)17-11-12-5-6-12/h1-4,12-13,17H,5-11H2
InChIKeyVSRDOCVYEYHQTK-UHFFFAOYSA-N
XLogP2.80
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzoxazol-2-yl)-N-benzylpiperidin-4-amine
CID 122154060
2-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]amino]ethanol
CID 146081262
N-[[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 62586348
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-1-bromomethanesulfonamide
CID 121108440
1-(1,3-benzoxazol-2-yl)-N-[2-(triazolidin-4-ylsulfanyl)ethyl]piperidin-4-amine
CID 134080613
1-(1,3-benzoxazol-2-yl)-N-[2-(cycloheptylamino)ethyl]piperidine-4-carboxamide
CID 119620972
2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole
CID 155569925
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883
N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine
CID 115307554
1-(1,3-benzoxazol-2-yl)-N'-(cyclopropanecarbonyl)piperidine-4-carbohydrazide
CID 26025752
tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
CID 71632159
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide
CID 121109371

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine (CID 115307563) is 1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine is c1ccc2oc(N3CCC(NCC4CC4)CC3)nc2c1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine?
The InChIKey is VSRDOCVYEYHQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-4-15-14(3-1)18-16(20-15)19-9-7-13(8-10-19)17-11-12-5-6-12/h1-4,12-13,17H,5-11H2.
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine?
1-(1,3-benzoxazol-2-yl)-N-(cyclopropylmethyl)piperidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 2.80, 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-(cyclopropylmethyl)piperidin-4-amine is sourced from PubChem (CID 115307563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).