N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine

C23H38N2O4 — CID 45242953

IUPACN-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCOCCN1CCC(CN(Cc2cc(OC)cc(OC)c2)CC2CCCO2)CC1
InChIInChI=1S/C23H38N2O4/c1-26-12-10-24-8-6-19(7-9-24)16-25(18-21-5-4-11-29-21)17-20-13-22(27-2)15-23(14-20)28-3/h13-15,19,21H,4-12,16-18H2,1-3H3
InChIKeyMKZGRJRMZYJXBD-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.04
Rot. Bonds11

About N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine

N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 45242953) has the molecular formula C23H38N2O4 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
PubChem CID45242953
Molecular FormulaC23H38N2O4
Molecular Weight406.57 g/mol
Exact Mass406.28
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
SMILESCOCCN1CCC(CN(Cc2cc(OC)cc(OC)c2)CC2CCCO2)CC1
InChIInChI=1S/C23H38N2O4/c1-26-12-10-24-8-6-19(7-9-24)16-25(18-21-5-4-11-29-21)17-20-13-22(27-2)15-23(14-20)28-3/h13-15,19,21H,4-12,16-18H2,1-3H3
InChIKeyMKZGRJRMZYJXBD-UHFFFAOYSA-N
XLogP3.04
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine
CID 45174931
1-[3-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]ethanone
CID 42242104
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]methanamine
CID 42404129
4-chloro-5-[[[1-(2-methoxyethyl)piperidin-4-yl]methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 26327285
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 25274205
1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)-N-[(2-prop-2-enoxycyclohexyl)methyl]methanamine
CID 171442484
4-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 45224635
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-3-thiophen-2-ylpropanamide
CID 45230896
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 45201215
1-(1-cyclopentylpiperidin-4-yl)-N-[(2,4-dimethoxyphenyl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 25452111
2-(benzotriazol-2-yl)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 29209581
3-acetamido-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42286362

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine (CID 45242953) is N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine is COCCN1CCC(CN(Cc2cc(OC)cc(OC)c2)CC2CCCO2)CC1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is MKZGRJRMZYJXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O4/c1-26-12-10-24-8-6-19(7-9-24)16-25(18-21-5-4-11-29-21)17-20-13-22(27-2)15-23(14-20)28-3/h13-15,19,21H,4-12,16-18H2,1-3H3.
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine?
N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 406.57 g/mol, XLogP of 3.04, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 45242953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).