4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide

C16H25N3O2 — CID 54235113

IUPAC4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide
SMILESCOc1ccc(C2CCN(CCCC(=O)NN)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-21-15-6-4-13(5-7-15)14-8-11-19(12-9-14)10-2-3-16(20)18-17/h4-7,14H,2-3,8-12,17H2,1H3,(H,18,20)
InChIKeyQLZZRCCUMIMCHA-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.64
Rot. Bonds6

About 4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide

4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide (PubChem CID 54235113) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide
PubChem CID54235113
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide
SMILESCOc1ccc(C2CCN(CCCC(=O)NN)CC2)cc1
InChIInChI=1S/C16H25N3O2/c1-21-15-6-4-13(5-7-15)14-8-11-19(12-9-14)10-2-3-16(20)18-17/h4-7,14H,2-3,8-12,17H2,1H3,(H,18,20)
InChIKeyQLZZRCCUMIMCHA-UHFFFAOYSA-N
XLogP1.64
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-carbamoyl-4-[3-(4-methoxyphenyl)pyrrolidin-1-yl]butanamide
CID 122132528
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
5-[4-(4-methoxyphenyl)piperidin-1-yl]pentanenitrile
CID 71985476
2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-prop-2-enylacetamide
CID 16667986
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
4-hydroxy-1-[4-(4-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 110480304
2-[(3R)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 94797807
2-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-N-prop-2-enylacetamide
CID 51103994
[5-amino-7-[4-(4-methoxyphenyl)piperidin-1-yl]-5-methylheptyl]boronic acid
CID 145219519
3-[4-(4-methoxyphenyl)piperidin-1-yl]-3-oxopropanoic acid
CID 110480149
1-(4-hydrazinyl-4-oxobutyl)-N-methylpiperidine-4-carboxamide
CID 63584988
4-(4-methylazepan-1-yl)butanehydrazide
CID 63627733

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide (CID 54235113) is 4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide is COc1ccc(C2CCN(CCCC(=O)NN)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide?
The InChIKey is QLZZRCCUMIMCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-21-15-6-4-13(5-7-15)14-8-11-19(12-9-14)10-2-3-16(20)18-17/h4-7,14H,2-3,8-12,17H2,1H3,(H,18,20).
What are the key properties of 4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide?
4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide has a molecular weight of 291.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperidin-1-yl]butanehydrazide is sourced from PubChem (CID 54235113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).