4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol

C16H26N2O — CID 111457378

IUPAC4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol
SMILESCc1cccc(NC2CCN(CCCCO)CC2)c1
InChIInChI=1S/C16H26N2O/c1-14-5-4-6-16(13-14)17-15-7-10-18(11-8-15)9-2-3-12-19/h4-6,13,15,17,19H,2-3,7-12H2,1H3
InChIKeyAXPSYNZDSPIFRO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds6

About 4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol

4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol (PubChem CID 111457378) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol
PubChem CID111457378
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol
SMILESCc1cccc(NC2CCN(CCCCO)CC2)c1
InChIInChI=1S/C16H26N2O/c1-14-5-4-6-16(13-14)17-15-7-10-18(11-8-15)9-2-3-12-19/h4-6,13,15,17,19H,2-3,7-12H2,1H3
InChIKeyAXPSYNZDSPIFRO-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol?
The IUPAC name of 4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol (CID 111457378) is 4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol is Cc1cccc(NC2CCN(CCCCO)CC2)c1.
What is the InChIKey of 4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol?
The InChIKey is AXPSYNZDSPIFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-14-5-4-6-16(13-14)17-15-7-10-18(11-8-15)9-2-3-12-19/h4-6,13,15,17,19H,2-3,7-12H2,1H3.
What are the key properties of 4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol?
4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol has a molecular weight of 262.40 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylanilino)piperidin-1-yl]butan-1-ol is sourced from PubChem (CID 111457378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).