1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine

C15H26N4 — CID 116877683

IUPAC1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine
SMILESCN1CCC(c2cnc(CC3CCCNC3)[nH]2)CC1
InChIInChI=1S/C15H26N4/c1-19-7-4-13(5-8-19)14-11-17-15(18-14)9-12-3-2-6-16-10-12/h11-13,16H,2-10H2,1H3,(H,17,18)
InChIKeyWMEDSYLNBYVJKE-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.76
Rot. Bonds3

About 1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine

1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine (PubChem CID 116877683) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine.

Molecular Properties

Compound Name1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine
PubChem CID116877683
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine
SMILESCN1CCC(c2cnc(CC3CCCNC3)[nH]2)CC1
InChIInChI=1S/C15H26N4/c1-19-7-4-13(5-8-19)14-11-17-15(18-14)9-12-3-2-6-16-10-12/h11-13,16H,2-10H2,1H3,(H,17,18)
InChIKeyWMEDSYLNBYVJKE-UHFFFAOYSA-N
XLogP1.76
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
4-[5-(1-methylpyrrolidin-3-yl)-1H-imidazol-2-yl]butan-2-amine
CID 116877125
ethane;1-methyl-4-(2-methyl-1H-imidazol-5-yl)piperidine
CID 144594096
6-methyl-2-(piperidin-3-ylmethyl)-1H-imidazo[4,5-b]pyridine
CID 79796036
1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208
3-[[2-(1-methylazetidin-3-yl)phenyl]methyl]piperidine
CID 117363445
1-[5-(1-methylpiperidin-3-yl)-1H-imidazol-2-yl]propan-2-amine
CID 116876745
3-(2-propan-2-yl-1H-imidazol-5-yl)piperidine
CID 82656850
(E)-3-[5-(1-methylpiperidin-4-yl)-1H-imidazol-2-yl]prop-2-enoic acid
CID 116881017
2-(2-methylpyrazol-3-yl)-5-(piperidin-3-ylmethyl)pyridine
CID 110102100
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086366
1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane
CID 62357709

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine?
The IUPAC name of 1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine (CID 116877683) is 1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine.
What is the SMILES notation for 1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine?
The canonical SMILES for 1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine is CN1CCC(c2cnc(CC3CCCNC3)[nH]2)CC1.
What is the InChIKey of 1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine?
The InChIKey is WMEDSYLNBYVJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-19-7-4-13(5-8-19)14-11-17-15(18-14)9-12-3-2-6-16-10-12/h11-13,16H,2-10H2,1H3,(H,17,18).
What are the key properties of 1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine?
1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine has a molecular weight of 262.40 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(piperidin-3-ylmethyl)-1H-imidazol-5-yl]piperidine is sourced from PubChem (CID 116877683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).