N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine

C18H27N3O — CID 58018678

IUPACN,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine
SMILESCc1ccc2c(CCC3CCNCC3)noc2c1CN(C)C
InChIInChI=1S/C18H27N3O/c1-13-4-6-15-17(7-5-14-8-10-19-11-9-14)20-22-18(15)16(13)12-21(2)3/h4,6,14,19H,5,7-12H2,1-3H3
InChIKeyLAUKJRSIGFFZFQ-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.13
Rot. Bonds5

About N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine

N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine (PubChem CID 58018678) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine
PubChem CID58018678
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC NameN,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine
SMILESCc1ccc2c(CCC3CCNCC3)noc2c1CN(C)C
InChIInChI=1S/C18H27N3O/c1-13-4-6-15-17(7-5-14-8-10-19-11-9-14)20-22-18(15)16(13)12-21(2)3/h4,6,14,19H,5,7-12H2,1-3H3
InChIKeyLAUKJRSIGFFZFQ-UHFFFAOYSA-N
XLogP3.13
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine (CID 58018678) is N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine is Cc1ccc2c(CCC3CCNCC3)noc2c1CN(C)C.
What is the InChIKey of N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine?
The InChIKey is LAUKJRSIGFFZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13-4-6-15-17(7-5-14-8-10-19-11-9-14)20-22-18(15)16(13)12-21(2)3/h4,6,14,19H,5,7-12H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine?
N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine has a molecular weight of 301.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine is sourced from PubChem (CID 58018678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).