4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine

C12H21N3 — CID 114998934

IUPAC4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine
SMILESCCCc1cnc(CC2CCNCC2)[nH]1
InChIInChI=1S/C12H21N3/c1-2-3-11-9-14-12(15-11)8-10-4-6-13-7-5-10/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyAVSWFFVXKXTLIG-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.90
Rot. Bonds4

About 4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine

4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine (PubChem CID 114998934) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine
PubChem CID114998934
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine
SMILESCCCc1cnc(CC2CCNCC2)[nH]1
InChIInChI=1S/C12H21N3/c1-2-3-11-9-14-12(15-11)8-10-4-6-13-7-5-10/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyAVSWFFVXKXTLIG-UHFFFAOYSA-N
XLogP1.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-ethyl-5-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 93461630
1-methyl-3-[(5-propyl-1H-imidazol-2-yl)methyl]piperazine
CID 116881215
4-[[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61029255
4-[2-(5-methyl-1H-imidazol-2-yl)ethyl]piperidine
CID 67753697
4-[[2-(trifluoromethyl)-1H-imidazol-5-yl]methyl]piperidine
CID 105492302
2-methyl-5-propyl-1H-imidazole
CID 22956170
4-[[5-(3-methoxyphenyl)-1H-imidazol-2-yl]methyl]piperidine
CID 61030336
4-[(2,5-dimethoxy-4-propylphenyl)methyl]piperidine
CID 117444876
2-(azepan-4-ylmethyl)-1H-pyrimidin-6-one
CID 84675429
4-[(4-cyclopropyl-5-ethyl-1H-imidazol-2-yl)methyl]piperidine
CID 105493653
5-ethyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 82237690
N-[2-(5-propyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 114998586

Frequently Asked Questions

What is the IUPAC name of 4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine?
The IUPAC name of 4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine (CID 114998934) is 4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine?
The canonical SMILES for 4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine is CCCc1cnc(CC2CCNCC2)[nH]1.
What is the InChIKey of 4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine?
The InChIKey is AVSWFFVXKXTLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-3-11-9-14-12(15-11)8-10-4-6-13-7-5-10/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine?
4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine has a molecular weight of 207.32 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-propyl-1H-imidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 114998934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).