6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine

C18H28N6 — CID 97192564

IUPAC6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
SMILESCCCCn1ccnc1[C@H]1CCCN(c2cncc(N(C)C)n2)C1
InChIInChI=1S/C18H28N6/c1-4-5-9-23-11-8-20-18(23)15-7-6-10-24(14-15)17-13-19-12-16(21-17)22(2)3/h8,11-13,15H,4-7,9-10,14H2,1-3H3/t15-/m0/s1
InChIKeyCLOYJVCBKTVLKD-HNNXBMFYSA-N
MW328.46 g/mol
LogP2.92
Rot. Bonds6

About 6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine

6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine (PubChem CID 97192564) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine.

Molecular Properties

Compound Name6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
PubChem CID97192564
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
SMILESCCCCn1ccnc1[C@H]1CCCN(c2cncc(N(C)C)n2)C1
InChIInChI=1S/C18H28N6/c1-4-5-9-23-11-8-20-18(23)15-7-6-10-24(14-15)17-13-19-12-16(21-17)22(2)3/h8,11-13,15H,4-7,9-10,14H2,1-3H3/t15-/m0/s1
InChIKeyCLOYJVCBKTVLKD-HNNXBMFYSA-N
XLogP2.92
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-6-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrazin-2-amine
CID 72893943
N,N-dimethyl-6-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrazin-2-amine
CID 72864312
4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
CID 72857071
4-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203412
4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203413
3-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
CID 72858078
3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
CID 97191148
2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine
CID 97192145
N,N-dimethyl-3-[2-[(3R)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97209396
2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 97209448
2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 72934277
N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97277170

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine?
The IUPAC name of 6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine (CID 97192564) is 6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine.
What is the SMILES notation for 6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine?
The canonical SMILES for 6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine is CCCCn1ccnc1[C@H]1CCCN(c2cncc(N(C)C)n2)C1.
What is the InChIKey of 6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine?
The InChIKey is CLOYJVCBKTVLKD-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N6/c1-4-5-9-23-11-8-20-18(23)15-7-6-10-24(14-15)17-13-19-12-16(21-17)22(2)3/h8,11-13,15H,4-7,9-10,14H2,1-3H3/t15-/m0/s1.
What are the key properties of 6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine?
6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine has a molecular weight of 328.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine is sourced from PubChem (CID 97192564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).