2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol

C22H35N3O — CID 131913538

IUPAC2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol
SMILESCC/C=C(/CN1CCC(N2CCN(CCO)CC2)CC1)c1ccccc1
InChIInChI=1S/C22H35N3O/c1-2-6-21(20-7-4-3-5-8-20)19-24-11-9-22(10-12-24)25-15-13-23(14-16-25)17-18-26/h3-8,22,26H,2,9-19H2,1H3/b21-6-
InChIKeyPRNKHCFPKCUWNS-MPUCSWFWSA-N
MW357.54 g/mol
LogP2.55
Rot. Bonds7

About 2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol

2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 131913538) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol
PubChem CID131913538
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol
SMILESCC/C=C(/CN1CCC(N2CCN(CCO)CC2)CC1)c1ccccc1
InChIInChI=1S/C22H35N3O/c1-2-6-21(20-7-4-3-5-8-20)19-24-11-9-22(10-12-24)25-15-13-23(14-16-25)17-18-26/h3-8,22,26H,2,9-19H2,1H3/b21-6-
InChIKeyPRNKHCFPKCUWNS-MPUCSWFWSA-N
XLogP2.55
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol (CID 131913538) is 2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol is CC/C=C(/CN1CCC(N2CCN(CCO)CC2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is PRNKHCFPKCUWNS-MPUCSWFWSA-N. The full InChI is InChI=1S/C22H35N3O/c1-2-6-21(20-7-4-3-5-8-20)19-24-11-9-22(10-12-24)25-15-13-23(14-16-25)17-18-26/h3-8,22,26H,2,9-19H2,1H3/b21-6-.
What are the key properties of 2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 357.54 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(E)-2-phenylpent-2-enyl]piperidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 131913538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).