1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine

C19H28N2 — CID 7074526

IUPAC1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
SMILESC[C@H]1CC[C@H](N2CCN(CC=Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H28N2/c1-17-9-10-19(16-17)21-14-12-20(13-15-21)11-5-8-18-6-3-2-4-7-18/h2-8,17,19H,9-16H2,1H3/t17-,19-/m0/s1
InChIKeyJZMSNXHBFBQKRJ-HKUYNNGSSA-N
MW284.45 g/mol
LogP3.51
Rot. Bonds4

About 1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine

1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 7074526) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
PubChem CID7074526
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine
SMILESC[C@H]1CC[C@H](N2CCN(CC=Cc3ccccc3)CC2)C1
InChIInChI=1S/C19H28N2/c1-17-9-10-19(16-17)21-14-12-20(13-15-21)11-5-8-18-6-3-2-4-7-18/h2-8,17,19H,9-16H2,1H3/t17-,19-/m0/s1
InChIKeyJZMSNXHBFBQKRJ-HKUYNNGSSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Z)-3-phenylprop-2-enyl]-4-(1-propylpiperidin-4-yl)piperazine
CID 92898605
1-(1-ethylpiperidin-4-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 2846660
1-(2,3-dihydro-1H-inden-2-yl)-4-(3-phenylprop-2-enyl)piperazine
CID 23940986
1-[(E)-3-phenylprop-2-enyl]-4-(thiolan-3-yl)piperazine
CID 6916050
3-methyl-9-[(E)-3-phenylprop-2-enyl]-9-azabicyclo[3.3.1]nonane
CID 129191946
1-(4-methylpiperidin-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propane-1,3-dione
CID 108942741
1-[(1S,3S)-3-methylcyclopentyl]-4-phenylpiperazine
CID 6937921
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
8-methyl-3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4968947
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
1-benzyl-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 784492

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine (CID 7074526) is 1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine is C[C@H]1CC[C@H](N2CCN(CC=Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is JZMSNXHBFBQKRJ-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H28N2/c1-17-9-10-19(16-17)21-14-12-20(13-15-21)11-5-8-18-6-3-2-4-7-18/h2-8,17,19H,9-16H2,1H3/t17-,19-/m0/s1.
What are the key properties of 1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine?
1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 284.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,3S)-3-methylcyclopentyl]-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 7074526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).