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

C22H28N4O — CID 58019016

IUPACN,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine
SMILESCN(C)Cc1c(-c2ccccn2)ccc2c(CCC3CCNCC3)noc12
InChIInChI=1S/C22H28N4O/c1-26(2)15-19-17(20-5-3-4-12-24-20)7-8-18-21(25-27-22(18)19)9-6-16-10-13-23-14-11-16/h3-5,7-8,12,16,23H,6,9-11,13-15H2,1-2H3
InChIKeyBUYPXEMLJYVEKI-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.88
Rot. Bonds6

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

N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine (PubChem CID 58019016) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine
PubChem CID58019016
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine
SMILESCN(C)Cc1c(-c2ccccn2)ccc2c(CCC3CCNCC3)noc12
InChIInChI=1S/C22H28N4O/c1-26(2)15-19-17(20-5-3-4-12-24-20)7-8-18-21(25-27-22(18)19)9-6-16-10-13-23-14-11-16/h3-5,7-8,12,16,23H,6,9-11,13-15H2,1-2H3
InChIKeyBUYPXEMLJYVEKI-UHFFFAOYSA-N
XLogP3.88
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-(pyridin-2-ylmethoxy)-1,2-benzoxazol-7-yl]methanamine
CID 58019007
N,N-dimethyl-1-[6-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]methanamine
CID 58018678
1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
CID 58018915
bis(5-[[4-[2-[7-[(dimethylamino)methyl]-6-pyridin-2-yl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]thiophene-2-carbonitrile);trihydrochloride
CID 157267587
1-[6-[(4-isocyanophenyl)methoxy]-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
CID 58018364
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-(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
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
tert-butyl 4-[2-[7-[(dimethylamino)methyl]-6-pyridin-2-yloxy-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018862
1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
CID 70948308
3-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]benzonitrile
CID 68917961

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine (CID 58019016) is N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine is CN(C)Cc1c(-c2ccccn2)ccc2c(CCC3CCNCC3)noc12.
What is the InChIKey of N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine?
The InChIKey is BUYPXEMLJYVEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-26(2)15-19-17(20-5-3-4-12-24-20)7-8-18-21(25-27-22(18)19)9-6-16-10-13-23-14-11-16/h3-5,7-8,12,16,23H,6,9-11,13-15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine?
N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine has a molecular weight of 364.49 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-(2-piperidin-4-ylethyl)-6-pyridin-2-yl-1,2-benzoxazol-7-yl]methanamine is sourced from PubChem (CID 58019016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).