4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine

C18H25N3 — CID 11178286

IUPAC4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine
SMILESc1ccc(CCCN2CCC(Cc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C18H25N3/c1-2-5-16(6-3-1)7-4-10-21-11-8-17(9-12-21)13-18-14-19-15-20-18/h1-3,5-6,14-15,17H,4,7-13H2,(H,19,20)
InChIKeyNLMKSXFSXRIHJU-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.30
Rot. Bonds6

About 4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine

4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine (PubChem CID 11178286) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine.

Molecular Properties

Compound Name4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine
PubChem CID11178286
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine
SMILESc1ccc(CCCN2CCC(Cc3cnc[nH]3)CC2)cc1
InChIInChI=1S/C18H25N3/c1-2-5-16(6-3-1)7-4-10-21-11-8-17(9-12-21)13-18-14-19-15-20-18/h1-3,5-6,14-15,17H,4,7-13H2,(H,19,20)
InChIKeyNLMKSXFSXRIHJU-UHFFFAOYSA-N
XLogP3.30
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.30
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-(3-phenylpropyl)piperidine?
The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine (CID 11178286) is 4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine.
What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine?
The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine is c1ccc(CCCN2CCC(Cc3cnc[nH]3)CC2)cc1.
What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine?
The InChIKey is NLMKSXFSXRIHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-5-16(6-3-1)7-4-10-21-11-8-17(9-12-21)13-18-14-19-15-20-18/h1-3,5-6,14-15,17H,4,7-13H2,(H,19,20).
What are the key properties of 4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine?
4-(1H-imidazol-5-ylmethyl)-1-(3-phenylpropyl)piperidine has a molecular weight of 283.42 g/mol, XLogP of 3.30, 6 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-(3-phenylpropyl)piperidine is sourced from PubChem (CID 11178286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).