1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine

C13H17N3O — CID 116935891

IUPAC1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
SMILESNC(c1ccc2ncoc2c1)C1CCNCC1
InChIInChI=1S/C13H17N3O/c14-13(9-3-5-15-6-4-9)10-1-2-11-12(7-10)17-8-16-11/h1-2,7-9,13,15H,3-6,14H2
InChIKeyCNRWCBCQPGEZGQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.83
Rot. Bonds2

About 1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine

1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine (PubChem CID 116935891) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine.

Molecular Properties

Compound Name1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
PubChem CID116935891
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
SMILESNC(c1ccc2ncoc2c1)C1CCNCC1
InChIInChI=1S/C13H17N3O/c14-13(9-3-5-15-6-4-9)10-1-2-11-12(7-10)17-8-16-11/h1-2,7-9,13,15H,3-6,14H2
InChIKeyCNRWCBCQPGEZGQ-UHFFFAOYSA-N
XLogP1.83
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one
CID 116941976
1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine
CID 116935433
3-[amino(1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937387
1-(1,3-benzoxazol-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951082
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951296
1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine
CID 116909699
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314290
2-amino-2-(1,3-benzoxazol-6-yl)ethanol
CID 82599704
6-propan-2-yl-1,3-benzoxazole
CID 21354846
1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine
CID 116941514

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine?
The IUPAC name of 1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine (CID 116935891) is 1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine.
What is the SMILES notation for 1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine?
The canonical SMILES for 1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine is NC(c1ccc2ncoc2c1)C1CCNCC1.
What is the InChIKey of 1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine?
The InChIKey is CNRWCBCQPGEZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-13(9-3-5-15-6-4-9)10-1-2-11-12(7-10)17-8-16-11/h1-2,7-9,13,15H,3-6,14H2.
What are the key properties of 1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine?
1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine is sourced from PubChem (CID 116935891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).