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

C16H25N3O — CID 94678404

IUPAC1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine
SMILESCOc1ccc(N2CCN([C@@H]3CCCNC3)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-20-16-6-4-14(5-7-16)18-9-11-19(12-10-18)15-3-2-8-17-13-15/h4-7,15,17H,2-3,8-13H2,1H3/t15-/m1/s1
InChIKeyCPYZBNBOVBIAEN-OAHLLOKOSA-N
MW275.40 g/mol
LogP1.57
Rot. Bonds3

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

1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine (PubChem CID 94678404) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine
PubChem CID94678404
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine
SMILESCOc1ccc(N2CCN([C@@H]3CCCNC3)CC2)cc1
InChIInChI=1S/C16H25N3O/c1-20-16-6-4-14(5-7-16)18-9-11-19(12-10-18)15-3-2-8-17-13-15/h4-7,15,17H,2-3,8-13H2,1H3/t15-/m1/s1
InChIKeyCPYZBNBOVBIAEN-OAHLLOKOSA-N
XLogP1.57
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride
CID 175654296
1-phenyl-4-[(3R)-piperidin-3-yl]piperazine
CID 51704980
1-(4-bromo-3-methylphenyl)-4-piperidin-3-ylpiperazine
CID 117026191
3-[4-(3-methylphenyl)piperazin-1-yl]azepane
CID 62642253
1-(4-methoxyphenyl)-4-[1-(4-methylpent-3-enyl)piperidin-3-yl]piperazine
CID 56905190
1-[(3R)-1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 28824109
1-[1-(3-cyclopentylpropyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 45233236
2-hydroxy-1-[(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 95714702
1-[(3R)-piperidin-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 93115751
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
CID 177314157
1-(4-methoxyphenyl)piperidine
CID 10130315
1-[(6-methoxynaphthalen-2-yl)methyl]-4-[(3S)-pyrrolidin-3-yl]piperazine
CID 125118230

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine?
The IUPAC name of 1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine (CID 94678404) is 1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine?
The canonical SMILES for 1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine is COc1ccc(N2CCN([C@@H]3CCCNC3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine?
The InChIKey is CPYZBNBOVBIAEN-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25N3O/c1-20-16-6-4-14(5-7-16)18-9-11-19(12-10-18)15-3-2-8-17-13-15/h4-7,15,17H,2-3,8-13H2,1H3/t15-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine?
1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine has a molecular weight of 275.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine is sourced from PubChem (CID 94678404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).