1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine

C19H33N3 — CID 67680053

IUPAC1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine
SMILESCCCCC(C1CCCCC1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C19H33N3/c1-2-3-9-19(17-7-5-4-6-8-17)22-12-10-16(11-13-22)18-14-20-15-21-18/h14-17,19H,2-13H2,1H3,(H,20,21)
InChIKeyIHHPBWDKOJDOOF-UHFFFAOYSA-N
MW303.49 g/mol
LogP4.73
Rot. Bonds6

About 1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine

1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine (PubChem CID 67680053) has the molecular formula C19H33N3 and a molecular weight of 303.49 g/mol. Its IUPAC name is 1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine
PubChem CID67680053
Molecular FormulaC19H33N3
Molecular Weight303.49 g/mol
Exact Mass303.27
IUPAC Name1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine
SMILESCCCCC(C1CCCCC1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C19H33N3/c1-2-3-9-19(17-7-5-4-6-8-17)22-12-10-16(11-13-22)18-14-20-15-21-18/h14-17,19H,2-13H2,1H3,(H,20,21)
InChIKeyIHHPBWDKOJDOOF-UHFFFAOYSA-N
XLogP4.73
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine?
The IUPAC name of 1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine (CID 67680053) is 1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine.
What is the SMILES notation for 1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine?
The canonical SMILES for 1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine is CCCCC(C1CCCCC1)N1CCC(c2cnc[nH]2)CC1.
What is the InChIKey of 1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine?
The InChIKey is IHHPBWDKOJDOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3/c1-2-3-9-19(17-7-5-4-6-8-17)22-12-10-16(11-13-22)18-14-20-15-21-18/h14-17,19H,2-13H2,1H3,(H,20,21).
What are the key properties of 1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine?
1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine has a molecular weight of 303.49 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpentyl)-4-(1H-imidazol-5-yl)piperidine is sourced from PubChem (CID 67680053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).