2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol

C16H28N2O — CID 783348

IUPAC2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol
SMILESC=C(C)[C@@H]1CC=C(CN2CCN(CCO)CC2)CC1
InChIInChI=1S/C16H28N2O/c1-14(2)16-5-3-15(4-6-16)13-18-9-7-17(8-10-18)11-12-19/h3,16,19H,1,4-13H2,2H3/t16-/m1/s1
InChIKeyTWGJTEFHLIKXNK-MRXNPFEDSA-N
MW264.41 g/mol
LogP1.90
Rot. Bonds5

About 2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol

2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 783348) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol
PubChem CID783348
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol
SMILESC=C(C)[C@@H]1CC=C(CN2CCN(CCO)CC2)CC1
InChIInChI=1S/C16H28N2O/c1-14(2)16-5-3-15(4-6-16)13-18-9-7-17(8-10-18)11-12-19/h3,16,19H,1,4-13H2,2H3/t16-/m1/s1
InChIKeyTWGJTEFHLIKXNK-MRXNPFEDSA-N
XLogP1.90
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol (CID 783348) is 2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol is C=C(C)[C@@H]1CC=C(CN2CCN(CCO)CC2)CC1.
What is the InChIKey of 2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol?
The InChIKey is TWGJTEFHLIKXNK-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(2)16-5-3-15(4-6-16)13-18-9-7-17(8-10-18)11-12-19/h3,16,19H,1,4-13H2,2H3/t16-/m1/s1.
What are the key properties of 2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol?
2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 264.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 783348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).