N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine

C21H39N5 — CID 72920494

IUPACN-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
SMILESCCN(Cc1cncn1C(C)C)CC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C21H39N5/c1-5-24(16-21-14-22-17-26(21)18(2)3)15-19-6-12-25(13-7-19)20-8-10-23(4)11-9-20/h14,17-20H,5-13,15-16H2,1-4H3
InChIKeyNRQABQOUIRFIMD-UHFFFAOYSA-N
MW361.58 g/mol
LogP3.09
Rot. Bonds7

About N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine

N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine (PubChem CID 72920494) has the molecular formula C21H39N5 and a molecular weight of 361.58 g/mol. Its IUPAC name is N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
PubChem CID72920494
Molecular FormulaC21H39N5
Molecular Weight361.58 g/mol
Exact Mass361.32
IUPAC NameN-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
SMILESCCN(Cc1cncn1C(C)C)CC1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C21H39N5/c1-5-24(16-21-14-22-17-26(21)18(2)3)15-19-6-12-25(13-7-19)20-8-10-23(4)11-9-20/h14,17-20H,5-13,15-16H2,1-4H3
InChIKeyNRQABQOUIRFIMD-UHFFFAOYSA-N
XLogP3.09
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.58
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-isobutyl-1H-imidazol-5-yl)methyl]-3-piperidinamine dihydrochloride
CID 56701558
2-[[4-[(1-Ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-5-methylpyrazine
CID 71932961
1'-(Cyclopropylmethyl)-3,7-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]
CID 97361033
7-(cyclopropylmethyl)-2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97382065
7-[(3-Methylimidazol-4-yl)methyl]-1-pyrimidin-2-yl-1,7-diazaspiro[3.5]nonane
CID 97412783
1-[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine
CID 97467314
7-(cyclopropylmethyl)-2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467460
7-(cyclopropylmethyl)-8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118747148
1-[4-(2,5-Dimethylimidazol-1-yl)piperidin-1-yl]-2-(1-ethylpiperidin-4-yl)ethanone
CID 124047362
2-[(1-isopropyl-1H-imidazol-5-yl)methyl]-8-methyloctahydro-2H-pyrazino[1,2-a]pyrazine
CID 74230943
1-[(1-methyl-1H-imidazol-5-yl)methyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 77081273
1-(1-isobutyl-1H-imidazol-5-yl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
CID 91830852

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine (CID 72920494) is N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine is CCN(Cc1cncn1C(C)C)CC1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine?
The InChIKey is NRQABQOUIRFIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5/c1-5-24(16-21-14-22-17-26(21)18(2)3)15-19-6-12-25(13-7-19)20-8-10-23(4)11-9-20/h14,17-20H,5-13,15-16H2,1-4H3.
What are the key properties of N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine?
N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine has a molecular weight of 361.58 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 72920494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).