1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine

C22H35N3O — CID 56905190

IUPAC1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine
SMILESCOc1ccc(N2CCN(C3CCCN(CCC=C(C)C)C3)CC2)cc1
InChIInChI=1S/C22H35N3O/c1-19(2)6-4-12-23-13-5-7-21(18-23)25-16-14-24(15-17-25)20-8-10-22(26-3)11-9-20/h6,8-11,21H,4-5,7,12-18H2,1-3H3
InChIKeyYPOPDSHBZXRDAF-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.64
Rot. Bonds6

About 1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine

1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine (PubChem CID 56905190) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine
PubChem CID56905190
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine
SMILESCOc1ccc(N2CCN(C3CCCN(CCC=C(C)C)C3)CC2)cc1
InChIInChI=1S/C22H35N3O/c1-19(2)6-4-12-23-13-5-7-21(18-23)25-16-14-24(15-17-25)20-8-10-22(26-3)11-9-20/h6,8-11,21H,4-5,7,12-18H2,1-3H3
InChIKeyYPOPDSHBZXRDAF-UHFFFAOYSA-N
XLogP3.64
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3-cyclopentylpropyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 45233236
3-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 29028751
1-[(3R)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 28824109
1-[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 29253860
2-(azepan-1-yl)-1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 42518071
1-(4-methoxyphenyl)-4-[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]piperazine
CID 30674071
1-[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 45223114
2-hydroxy-1-[(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 95714702
5-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2-methylsulfanylpyrimidine
CID 45246704
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 45236118
1-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 30723452
1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine
CID 94678404

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine (CID 56905190) is 1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine is COc1ccc(N2CCN(C3CCCN(CCC=C(C)C)C3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine?
The InChIKey is YPOPDSHBZXRDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-19(2)6-4-12-23-13-5-7-21(18-23)25-16-14-24(15-17-25)20-8-10-22(26-3)11-9-20/h6,8-11,21H,4-5,7,12-18H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine?
1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine has a molecular weight of 357.54 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine is sourced from PubChem (CID 56905190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).