1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine

C18H27N3O2 — CID 58018915

IUPAC1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc2c(CCC3CCNCC3)noc2c1CN(C)C
InChIInChI=1S/C18H27N3O2/c1-21(2)12-15-17(22-3)7-5-14-16(20-23-18(14)15)6-4-13-8-10-19-11-9-13/h5,7,13,19H,4,6,8-12H2,1-3H3
InChIKeyFGTDEBXBYNLHDK-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.83
Rot. Bonds6

About 1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine

1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine (PubChem CID 58018915) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
PubChem CID58018915
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
SMILESCOc1ccc2c(CCC3CCNCC3)noc2c1CN(C)C
InChIInChI=1S/C18H27N3O2/c1-21(2)12-15-17(22-3)7-5-14-16(20-23-18(14)15)6-4-13-8-10-19-11-9-13/h5,7,13,19H,4,6,8-12H2,1-3H3
InChIKeyFGTDEBXBYNLHDK-UHFFFAOYSA-N
XLogP2.83
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine
CID 58018678
N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-(pyridin-2-ylmethoxy)-1,2-benzoxazol-7-yl]methanamine
CID 58019007
1-[6-[(4-isocyanophenyl)methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
CID 58018364
bis(1-[3-[2-[1-(cyclopentylmethyl)piperidin-4-yl]ethyl]-6-(cyclopropylmethoxy)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 159762646
N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine
CID 58019016
bis(1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 161190265
1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;bis(1-[6-(cyclopropylmethoxy)-3-[2-(1-pyridin-3-ylpiperidin-4-yl)ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);dihydrochloride
CID 161196444
bis(1-[3-[2-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]ethyl]-6-(cyclopropylmethoxy)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 158413947
6-methoxy-7-(methoxymethyl)-3-[2-(1-methylpiperidin-4-yl)ethyl]-1,2-benzoxazole
CID 58018593
[2-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclopropyl]methanol
CID 68916893
1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2-phenylethoxy)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 68923205
1-[6-(cyclopropylmethoxy)-3-[2-(1-prop-2-ynylpiperidin-4-yl)ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 87623407

Frequently Asked Questions

What is the IUPAC name of 1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine (CID 58018915) is 1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine is COc1ccc2c(CCC3CCNCC3)noc2c1CN(C)C.
What is the InChIKey of 1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The InChIKey is FGTDEBXBYNLHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-21(2)12-15-17(22-3)7-5-14-16(20-23-18(14)15)6-4-13-8-10-19-11-9-13/h5,7,13,19H,4,6,8-12H2,1-3H3.
What are the key properties of 1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine has a molecular weight of 317.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 58018915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).