trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol

C22H32N4O — CID 167752604

About trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol

trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol (PubChem CID 167752604) has the molecular formula C22H32N4O and a molecular weight of 368.52 g/mol. Its IUPAC name is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol.

Molecular Properties

• Compound Name: trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol
• PubChem CID: 167752604
• Molecular Formula: C22H32N4O
• Molecular Weight: 368.52 g/mol
• Exact Mass: 368.26
• IUPAC Name: trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol
• SMILES: O[C@@H]1CC(Cn2ccnc2)C[C@H]1NC1CCN(CCc2ccccc2)CC1
• InChI: InChI=1S/C22H32N4O/c27-22-15-19(16-26-13-9-23-17-26)14-21(22)24-20-7-11-25(12-8-20)10-6-18-4-2-1-3-5-18/h1-5,9,13,17,19-22,24,27H,6-8,10-12,14-16H2/t19?,21-,22-/m1/s1
• InChIKey: NHAABBIDHFDIAV-CEAUUGKZSA-N
• XLogP: 2.32
• TPSA: 53.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.52
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol?

The IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol (CID 167752604) is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol.

What is the SMILES notation for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol?

The canonical SMILES for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol is O[C@@H]1CC(Cn2ccnc2)C[C@H]1NC1CCN(CCc2ccccc2)CC1.

What is the InChIKey of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol?

The InChIKey is NHAABBIDHFDIAV-CEAUUGKZSA-N. The full InChI is InChI=1S/C22H32N4O/c27-22-15-19(16-26-13-9-23-17-26)14-21(22)24-20-7-11-25(12-8-20)10-6-18-4-2-1-3-5-18/h1-5,9,13,17,19-22,24,27H,6-8,10-12,14-16H2/t19?,21-,22-/m1/s1.

What are the key properties of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol?

trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol has a molecular weight of 368.52 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 167752604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).