4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol

C22H30N2O — CID 46989155

IUPAC4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol
SMILESCc1ccc(-c2ccc(N3CCC(NCCCCO)CC3)cc2)cc1
InChIInChI=1S/C22H30N2O/c1-18-4-6-19(7-5-18)20-8-10-22(11-9-20)24-15-12-21(13-16-24)23-14-2-3-17-25/h4-11,21,23,25H,2-3,12-17H2,1H3
InChIKeyHKYNKUPFNFOIQA-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.99
Rot. Bonds7

About 4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol

4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol (PubChem CID 46989155) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol
PubChem CID46989155
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol
SMILESCc1ccc(-c2ccc(N3CCC(NCCCCO)CC3)cc2)cc1
InChIInChI=1S/C22H30N2O/c1-18-4-6-19(7-5-18)20-8-10-22(11-9-20)24-15-12-21(13-16-24)23-14-2-3-17-25/h4-11,21,23,25H,2-3,12-17H2,1H3
InChIKeyHKYNKUPFNFOIQA-UHFFFAOYSA-N
XLogP3.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.99
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-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol?
The IUPAC name of 4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol (CID 46989155) is 4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol is Cc1ccc(-c2ccc(N3CCC(NCCCCO)CC3)cc2)cc1.
What is the InChIKey of 4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol?
The InChIKey is HKYNKUPFNFOIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-18-4-6-19(7-5-18)20-8-10-22(11-9-20)24-15-12-21(13-16-24)23-14-2-3-17-25/h4-11,21,23,25H,2-3,12-17H2,1H3.
What are the key properties of 4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol?
4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol has a molecular weight of 338.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 46989155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).