1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine

C14H19N3O — CID 116951296

IUPAC1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine
SMILESCNC(c1ccc2ncoc2c1)C1CCCNC1
InChIInChI=1S/C14H19N3O/c1-15-14(11-3-2-6-16-8-11)10-4-5-12-13(7-10)18-9-17-12/h4-5,7,9,11,14-16H,2-3,6,8H2,1H3
InChIKeyRSVVCORRRNYABA-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.09
Rot. Bonds3

About 1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine

1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 116951296) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID116951296
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine
SMILESCNC(c1ccc2ncoc2c1)C1CCCNC1
InChIInChI=1S/C14H19N3O/c1-15-14(11-3-2-6-16-8-11)10-4-5-12-13(7-10)18-9-17-12/h4-5,7,9,11,14-16H,2-3,6,8H2,1H3
InChIKeyRSVVCORRRNYABA-UHFFFAOYSA-N
XLogP2.09
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzoxazol-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951082
1,3-benzoxazol-6-yl(methylamino)methanethiol
CID 116954549
1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine
CID 116935433
N-(2-piperidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115211281
6-[methylamino(pyrrolidin-3-yl)methyl]-4H-1,4-benzoxazin-3-one
CID 116951071
6-propan-2-yl-1,3-benzoxazole
CID 21354846
3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one
CID 116951093
6-[methylamino(pyrrolidin-3-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 116951044
1-(2,4-difluorophenyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951278
1-(4-methoxy-3-methylphenyl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951010
2-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)-1-piperidin-2-ylmethanamine
CID 116951196

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of 1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine (CID 116951296) is 1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for 1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for 1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine is CNC(c1ccc2ncoc2c1)C1CCCNC1.
What is the InChIKey of 1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is RSVVCORRRNYABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-15-14(11-3-2-6-16-8-11)10-4-5-12-13(7-10)18-9-17-12/h4-5,7,9,11,14-16H,2-3,6,8H2,1H3.
What are the key properties of 1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine?
1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 116951296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).