1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine

C20H37N5 — CID 124625021

IUPAC1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCCN2CCC[C@@H](Cc3nccn3C)C2)CC1
InChIInChI=1S/C20H37N5/c1-18(2)25-14-12-23(13-15-25)9-5-10-24-8-4-6-19(17-24)16-20-21-7-11-22(20)3/h7,11,18-19H,4-6,8-10,12-17H2,1-3H3/t19-/m0/s1
InChIKeyWZPPSBYKRZZEIK-IBGZPJMESA-N
MW347.55 g/mol
LogP2.09
Rot. Bonds7

About 1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine

1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine (PubChem CID 124625021) has the molecular formula C20H37N5 and a molecular weight of 347.55 g/mol. Its IUPAC name is 1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine
PubChem CID124625021
Molecular FormulaC20H37N5
Molecular Weight347.55 g/mol
Exact Mass347.30
IUPAC Name1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCCN2CCC[C@@H](Cc3nccn3C)C2)CC1
InChIInChI=1S/C20H37N5/c1-18(2)25-14-12-23(13-15-25)9-5-10-24-8-4-6-19(17-24)16-20-21-7-11-22(20)3/h7,11,18-19H,4-6,8-10,12-17H2,1-3H3/t19-/m0/s1
InChIKeyWZPPSBYKRZZEIK-IBGZPJMESA-N
XLogP2.09
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclobutylmethyl)-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86771066
2-[[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-1-methylimidazole
CID 110269241
3-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 154752270
4-methyl-1-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 97101326
3-[(1-methylimidazol-2-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 86791653
4-[[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]thiadiazole
CID 99822145
(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 120992898
1-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-[(1-methylimidazol-2-yl)methyl]piperidine
CID 86791637
[5-[[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 86791646
1-(2,6-dimethylmorpholin-4-yl)-2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 86771068
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 100904592
3-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 86771058

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine (CID 124625021) is 1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(CCCN2CCC[C@@H](Cc3nccn3C)C2)CC1.
What is the InChIKey of 1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine?
The InChIKey is WZPPSBYKRZZEIK-IBGZPJMESA-N. The full InChI is InChI=1S/C20H37N5/c1-18(2)25-14-12-23(13-15-25)9-5-10-24-8-4-6-19(17-24)16-20-21-7-11-22(20)3/h7,11,18-19H,4-6,8-10,12-17H2,1-3H3/t19-/m0/s1.
What are the key properties of 1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine?
1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine has a molecular weight of 347.55 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 124625021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).