2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine

C18H26N4 — CID 97192145

IUPAC2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine
SMILESCCCCn1ccnc1[C@H]1CCCN(c2ncccc2C)C1
InChIInChI=1S/C18H26N4/c1-3-4-11-21-13-10-20-18(21)16-8-6-12-22(14-16)17-15(2)7-5-9-19-17/h5,7,9-10,13,16H,3-4,6,8,11-12,14H2,1-2H3/t16-/m0/s1
InChIKeyBVCJDJRHJFYIFF-INIZCTEOSA-N
MW298.43 g/mol
LogP3.77
Rot. Bonds5

About 2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine

2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine (PubChem CID 97192145) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine.

Molecular Properties

Compound Name2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine
PubChem CID97192145
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine
SMILESCCCCn1ccnc1[C@H]1CCCN(c2ncccc2C)C1
InChIInChI=1S/C18H26N4/c1-3-4-11-21-13-10-20-18(21)16-8-6-12-22(14-16)17-15(2)7-5-9-19-17/h5,7,9-10,13,16H,3-4,6,8,11-12,14H2,1-2H3/t16-/m0/s1
InChIKeyBVCJDJRHJFYIFF-INIZCTEOSA-N
XLogP3.77
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97277170
3-fluoro-2-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 97128849
4-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203413
4-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-fluoropyridine
CID 97203412
3-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
CID 97191148
3-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-5-ethyl-1,2,4-oxadiazole
CID 72858078
4-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-methyl-6-propylpyrimidine
CID 72857071
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 97200732
2-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 72934277
2-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-6-fluoro-4-methylquinoline
CID 97209448
6-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-N,N-dimethylpyrazin-2-amine
CID 97192564
2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine?
The IUPAC name of 2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine (CID 97192145) is 2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine.
What is the SMILES notation for 2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine?
The canonical SMILES for 2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine is CCCCn1ccnc1[C@H]1CCCN(c2ncccc2C)C1.
What is the InChIKey of 2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine?
The InChIKey is BVCJDJRHJFYIFF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4/c1-3-4-11-21-13-10-20-18(21)16-8-6-12-22(14-16)17-15(2)7-5-9-19-17/h5,7,9-10,13,16H,3-4,6,8,11-12,14H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine?
2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine has a molecular weight of 298.43 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-methylpyridine is sourced from PubChem (CID 97192145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).