1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine

C18H27N5 — CID 99788947

IUPAC1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
SMILESCC[C@@H](c1nccn1C)N1CCN([C@@H](C)c2cccnc2)CC1
InChIInChI=1S/C18H27N5/c1-4-17(18-20-8-9-21(18)3)23-12-10-22(11-13-23)15(2)16-6-5-7-19-14-16/h5-9,14-15,17H,4,10-13H2,1-3H3/t15-,17-/m0/s1
InChIKeyLOOGMONKHPXVAG-RDJZCZTQSA-N
MW313.45 g/mol
LogP2.64
Rot. Bonds5

About 1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine

1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine (PubChem CID 99788947) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
PubChem CID99788947
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
SMILESCC[C@@H](c1nccn1C)N1CCN([C@@H](C)c2cccnc2)CC1
InChIInChI=1S/C18H27N5/c1-4-17(18-20-8-9-21(18)3)23-12-10-22(11-13-23)15(2)16-6-5-7-19-14-16/h5-9,14-15,17H,4,10-13H2,1-3H3/t15-,17-/m0/s1
InChIKeyLOOGMONKHPXVAG-RDJZCZTQSA-N
XLogP2.64
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-N-[1-(1-methylimidazol-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 81404141
(2R)-2-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-[(1R)-1-pyridin-3-ylethyl]piperazine
CID 98757746
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine-1-carboxamide
CID 86953597
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058
1-[(1-phenylimidazol-2-yl)methyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 166223958
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
2-methyl-1-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]propan-1-one
CID 87038067
(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
CID 95322338
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 75509202
1-methyl-2-(1-phenylpropyl)imidazole
CID 67056293
1-(3,5-dichlorophenyl)-4-(1-pyridin-3-ylethyl)piperazine
CID 110452631
3-[(1R)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethyl]pyridine
CID 95276591

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine?
The IUPAC name of 1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine (CID 99788947) is 1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine is CC[C@@H](c1nccn1C)N1CCN([C@@H](C)c2cccnc2)CC1.
What is the InChIKey of 1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine?
The InChIKey is LOOGMONKHPXVAG-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H27N5/c1-4-17(18-20-8-9-21(18)3)23-12-10-22(11-13-23)15(2)16-6-5-7-19-14-16/h5-9,14-15,17H,4,10-13H2,1-3H3/t15-,17-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine?
1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine has a molecular weight of 313.45 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine is sourced from PubChem (CID 99788947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).