N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine

C22H35N5O — CID 45178863

IUPACN'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccccc1CN1CCCC(CN(CCN(C)C)Cc2ncc[nH]2)C1
InChIInChI=1S/C22H35N5O/c1-25(2)13-14-27(18-22-23-10-11-24-22)16-19-7-6-12-26(15-19)17-20-8-4-5-9-21(20)28-3/h4-5,8-11,19H,6-7,12-18H2,1-3H3,(H,23,24)
InChIKeyRASDRIDZYOAOQV-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.69
Rot. Bonds10

About N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine

N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine (PubChem CID 45178863) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine
PubChem CID45178863
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC NameN'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine
SMILESCOc1ccccc1CN1CCCC(CN(CCN(C)C)Cc2ncc[nH]2)C1
InChIInChI=1S/C22H35N5O/c1-25(2)13-14-27(18-22-23-10-11-24-22)16-19-7-6-12-26(15-19)17-20-8-4-5-9-21(20)28-3/h4-5,8-11,19H,6-7,12-18H2,1-3H3,(H,23,24)
InChIKeyRASDRIDZYOAOQV-UHFFFAOYSA-N
XLogP2.69
TPSA47.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 25306733
3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-4-methylbenzamide
CID 23723838
N-[2-(dimethylamino)ethyl]-N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 45197606
N-[2-(dimethylamino)ethyl]-N-[[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42393604
N-[2-(dimethylamino)ethyl]-N-[[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 42357318
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine
CID 31043035
(3R)-1-(1H-imidazol-2-ylmethyl)-3-[2-(2-methylphenyl)ethyl]piperidine
CID 42529056
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
1-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 28685153
1-[(3S)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
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(3S)-1-benzyl-3-(1H-imidazol-2-ylmethyl)piperidine
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Frequently Asked Questions

What is the IUPAC name of N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine (CID 45178863) is N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine is COc1ccccc1CN1CCCC(CN(CCN(C)C)Cc2ncc[nH]2)C1.
What is the InChIKey of N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine?
The InChIKey is RASDRIDZYOAOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-25(2)13-14-27(18-22-23-10-11-24-22)16-19-7-6-12-26(15-19)17-20-8-4-5-9-21(20)28-3/h4-5,8-11,19H,6-7,12-18H2,1-3H3,(H,23,24).
What are the key properties of N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine?
N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine has a molecular weight of 385.56 g/mol, XLogP of 2.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-imidazol-2-ylmethyl)-N'-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 45178863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).