1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol

C19H29N3O — CID 88623213

IUPAC1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol
SMILES[H]/N=C/CN1CCN(CC(O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C19H29N3O/c20-10-11-21-12-14-22(15-13-21)16-19(23,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,10,18,20,23H,4-5,8-9,11-16H2/b20-10+
InChIKeyUZPGIIKMONAXOY-KEBDBYFISA-N
MW315.46 g/mol
LogP2.33
Rot. Bonds6

About 1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol

1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol (PubChem CID 88623213) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol
PubChem CID88623213
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol
SMILES[H]/N=C/CN1CCN(CC(O)(c2ccccc2)C2CCCC2)CC1
InChIInChI=1S/C19H29N3O/c20-10-11-21-12-14-22(15-13-21)16-19(23,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,10,18,20,23H,4-5,8-9,11-16H2/b20-10+
InChIKeyUZPGIIKMONAXOY-KEBDBYFISA-N
XLogP2.33
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol iodide
CID 169441280
1-cyclohexyl-2-(1,4-diazepan-1-yl)-1-phenylethanol
CID 70385276
1-cyclohexyl-2-(4-methyl-4-silylpiperazin-4-ium-1-yl)-1-phenylethanol
CID 123770807
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
(1R)-1-cyclopentyl-1-phenylethane-1,2-diol;ethane
CID 142373793
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol
CID 2835415
1-cyclopentyl-3-[(3R,5S)-3,5-difluoropiperidin-1-yl]-1-phenylpropan-1-ol
CID 134827932
1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride
CID 5309456
4-cyclohexyl-4-hydroxy-4-phenylbutanenitrile
CID 22155872
1-cyclopentyl-5-morpholin-4-yl-1-phenylpent-3-yn-1-ol
CID 3796182

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol?
The IUPAC name of 1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol (CID 88623213) is 1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol is [H]/N=C/CN1CCN(CC(O)(c2ccccc2)C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol?
The InChIKey is UZPGIIKMONAXOY-KEBDBYFISA-N. The full InChI is InChI=1S/C19H29N3O/c20-10-11-21-12-14-22(15-13-21)16-19(23,18-8-4-5-9-18)17-6-2-1-3-7-17/h1-3,6-7,10,18,20,23H,4-5,8-9,11-16H2/b20-10+.
What are the key properties of 1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol?
1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol has a molecular weight of 315.46 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[4-(2-iminoethyl)piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 88623213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).