[1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine

C13H17N3O — CID 96599592

IUPAC[1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2cccc3ncoc23)CC1
InChIInChI=1S/C13H17N3O/c14-8-10-4-6-16(7-5-10)12-3-1-2-11-13(12)17-9-15-11/h1-3,9-10H,4-8,14H2
InChIKeyBTFBVGGVDUPIFF-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.00
Rot. Bonds2

About [1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine

[1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine (PubChem CID 96599592) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is [1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine
PubChem CID96599592
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name[1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2cccc3ncoc23)CC1
InChIInChI=1S/C13H17N3O/c14-8-10-4-6-16(7-5-10)12-3-1-2-11-13(12)17-9-15-11/h1-3,9-10H,4-8,14H2
InChIKeyBTFBVGGVDUPIFF-UHFFFAOYSA-N
XLogP2.00
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1,2,3-benzothiadiazol-7-yl)piperidin-4-yl]methanamine
CID 82383280
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
[1-([1,3]oxazolo[5,4-d]pyrimidin-5-yl)pyrrolidin-3-yl]methanamine
CID 83837033
[1-(1,3-oxazol-2-yl)piperidin-4-yl]methanamine
CID 112709497
2-[4-(aminomethyl)piperidin-1-yl]pyridin-3-ol
CID 71644858
[1-(2-methyl-3-pyridinyl)pyrrolidin-3-yl]methanamine
CID 79044078
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
CID 68551320
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
3-[4-(aminomethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 104719954
[1-([1,3]oxazolo[5,4-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine
CID 83836541
(1-pyrazin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 56965638
[1-(2-methylpyrimidin-5-yl)piperidin-4-yl]methanamine
CID 83820134

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine (CID 96599592) is [1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine is NCC1CCN(c2cccc3ncoc23)CC1.
What is the InChIKey of [1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine?
The InChIKey is BTFBVGGVDUPIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-8-10-4-6-16(7-5-10)12-3-1-2-11-13(12)17-9-15-11/h1-3,9-10H,4-8,14H2.
What are the key properties of [1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine?
[1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine has a molecular weight of 231.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzoxazol-7-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 96599592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).