1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine

C16H28N4 — CID 107165726

IUPAC1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine
SMILESCN1CCC(C)(Cn2cncc2C2(C)CCNC2)CC1
InChIInChI=1S/C16H28N4/c1-15(5-8-19(3)9-6-15)12-20-13-18-10-14(20)16(2)4-7-17-11-16/h10,13,17H,4-9,11-12H2,1-3H3
InChIKeyBGKOGAZKZCFUQX-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.87
Rot. Bonds3

About 1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine

1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine (PubChem CID 107165726) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine
PubChem CID107165726
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine
SMILESCN1CCC(C)(Cn2cncc2C2(C)CCNC2)CC1
InChIInChI=1S/C16H28N4/c1-15(5-8-19(3)9-6-15)12-20-13-18-10-14(20)16(2)4-7-17-11-16/h10,13,17H,4-9,11-12H2,1-3H3
InChIKeyBGKOGAZKZCFUQX-UHFFFAOYSA-N
XLogP1.87
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine?
The IUPAC name of 1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine (CID 107165726) is 1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine.
What is the SMILES notation for 1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine?
The canonical SMILES for 1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine is CN1CCC(C)(Cn2cncc2C2(C)CCNC2)CC1.
What is the InChIKey of 1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine?
The InChIKey is BGKOGAZKZCFUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-15(5-8-19(3)9-6-15)12-20-13-18-10-14(20)16(2)4-7-17-11-16/h10,13,17H,4-9,11-12H2,1-3H3.
What are the key properties of 1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine?
1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine has a molecular weight of 276.43 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-4-[[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]methyl]piperidine is sourced from PubChem (CID 107165726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).