N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol

C24H39N3O3 — CID 68920303

IUPACN-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol
SMILESCNC.Cc1c(OCC2CCC(O)CC2)ccc2c(CCC3CCNCC3)noc12
InChIInChI=1S/C22H32N2O3.C2H7N/c1-15-21(26-14-17-2-5-18(25)6-3-17)9-7-19-20(24-27-22(15)19)8-4-16-10-12-23-13-11-16;1-3-2/h7,9,16-18,23,25H,2-6,8,10-14H2,1H3;3H,1-2H3
InChIKeyOJSFWKQFRHZMLC-UHFFFAOYSA-N
MW417.59 g/mol
LogP3.83
Rot. Bonds6

About N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol

N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol (PubChem CID 68920303) has the molecular formula C24H39N3O3 and a molecular weight of 417.59 g/mol. Its IUPAC name is N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound NameN-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol
PubChem CID68920303
Molecular FormulaC24H39N3O3
Molecular Weight417.59 g/mol
Exact Mass417.30
IUPAC NameN-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol
SMILESCNC.Cc1c(OCC2CCC(O)CC2)ccc2c(CCC3CCNCC3)noc12
InChIInChI=1S/C22H32N2O3.C2H7N/c1-15-21(26-14-17-2-5-18(25)6-3-17)9-7-19-20(24-27-22(15)19)8-4-16-10-12-23-13-11-16;1-3-2/h7,9,16-18,23,25H,2-6,8,10-14H2,1H3;3H,1-2H3
InChIKeyOJSFWKQFRHZMLC-UHFFFAOYSA-N
XLogP3.83
TPSA79.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol with MolForge

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Related Compounds

N-methylmethanamine;2-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile
CID 68922754
4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile
CID 68916941
3-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]thiophene-2-carbonitrile;N-methylmethanamine
CID 68919505
5-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 68917414
[6-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-2-pyridinyl]carbamic acid;N-methylmethanamine
CID 68923120
[1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol
CID 68918068
1-[2-[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]ethyl]piperidin-2-one
CID 68923031
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
1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutane-1-carbonitrile
CID 68917783
1-[6-methoxy-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
CID 58018915
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

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol?
The IUPAC name of N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol (CID 68920303) is N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol?
The canonical SMILES for N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol is CNC.Cc1c(OCC2CCC(O)CC2)ccc2c(CCC3CCNCC3)noc12.
What is the InChIKey of N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol?
The InChIKey is OJSFWKQFRHZMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3.C2H7N/c1-15-21(26-14-17-2-5-18(25)6-3-17)9-7-19-20(24-27-22(15)19)8-4-16-10-12-23-13-11-16;1-3-2/h7,9,16-18,23,25H,2-6,8,10-14H2,1H3;3H,1-2H3.
What are the key properties of N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol?
N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol has a molecular weight of 417.59 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 68920303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).