1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine

C14H20N4O — CID 116909699

IUPAC1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine
SMILESCN(C)C(c1ccc2ncoc2c1)N1CCNCC1
InChIInChI=1S/C14H20N4O/c1-17(2)14(18-7-5-15-6-8-18)11-3-4-12-13(9-11)19-10-16-12/h3-4,9-10,14-15H,5-8H2,1-2H3
InChIKeyNYOVFHKCMFPQEQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.29
Rot. Bonds3

About 1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine

1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine (PubChem CID 116909699) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine
PubChem CID116909699
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine
SMILESCN(C)C(c1ccc2ncoc2c1)N1CCNCC1
InChIInChI=1S/C14H20N4O/c1-17(2)14(18-7-5-15-6-8-18)11-3-4-12-13(9-11)19-10-16-12/h3-4,9-10,14-15H,5-8H2,1-2H3
InChIKeyNYOVFHKCMFPQEQ-UHFFFAOYSA-N
XLogP1.29
TPSA44.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
CID 116935891
6-propan-2-yl-1,3-benzoxazole
CID 21354846
1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914373
1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine
CID 116905174
methyl 2-(1,3-benzoxazol-6-yl)-2-pyrrolidin-1-ylacetate
CID 116860541
1-(1,3-benzoxazol-6-yl)-N-methyl-1-pyrrolidin-3-ylmethanamine
CID 116951082
2-(1,3-benzoxazol-6-yl)propanenitrile
CID 21437237
1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951296
N-[2-(1,3-benzoxazol-6-yl)ethyl]-N-methylpiperidin-4-amine
CID 115118528
1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine
CID 116935433
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
CID 116859715
1-(1,3-benzoxazol-6-yl)-1-hydroxy-3-methylbutan-2-one
CID 116836015

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine?
The IUPAC name of 1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine (CID 116909699) is 1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine.
What is the SMILES notation for 1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine?
The canonical SMILES for 1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine is CN(C)C(c1ccc2ncoc2c1)N1CCNCC1.
What is the InChIKey of 1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine?
The InChIKey is NYOVFHKCMFPQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17(2)14(18-7-5-15-6-8-18)11-3-4-12-13(9-11)19-10-16-12/h3-4,9-10,14-15H,5-8H2,1-2H3.
What are the key properties of 1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine?
1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine has a molecular weight of 260.34 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-6-yl)-N,N-dimethyl-1-piperazin-1-ylmethanamine is sourced from PubChem (CID 116909699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).