4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine

C12H21N3 — CID 11210869

IUPAC4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(Cc2cnc[nH]2)CC1
InChIInChI=1S/C12H21N3/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyFYVNUXLQHUNBRX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.07
Rot. Bonds3

About 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine

4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine (PubChem CID 11210869) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine
PubChem CID11210869
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(Cc2cnc[nH]2)CC1
InChIInChI=1S/C12H21N3/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12/h8-11H,3-7H2,1-2H3,(H,13,14)
InChIKeyFYVNUXLQHUNBRX-UHFFFAOYSA-N
XLogP2.07
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine (CID 11210869) is 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine is CC(C)N1CCC(Cc2cnc[nH]2)CC1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine?
The InChIKey is FYVNUXLQHUNBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)15-5-3-11(4-6-15)7-12-8-13-9-14-12/h8-11H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine?
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine has a molecular weight of 207.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 11210869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).