4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol

C18H29NO — CID 116542318

IUPAC4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(c2cccc(CC(C)C)c2)CC1
InChIInChI=1S/C18H29NO/c1-4-10-19-11-8-18(20,9-12-19)17-7-5-6-16(14-17)13-15(2)3/h5-7,14-15,20H,4,8-13H2,1-3H3
InChIKeyQARPXGHBTBGQQS-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.58
Rot. Bonds5

About 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol

4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol (PubChem CID 116542318) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol.

Molecular Properties

Compound Name4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol
PubChem CID116542318
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol
SMILESCCCN1CCC(O)(c2cccc(CC(C)C)c2)CC1
InChIInChI=1S/C18H29NO/c1-4-10-19-11-8-18(20,9-12-19)17-7-5-6-16(14-17)13-15(2)3/h5-7,14-15,20H,4,8-13H2,1-3H3
InChIKeyQARPXGHBTBGQQS-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol?
The IUPAC name of 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol (CID 116542318) is 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol.
What is the SMILES notation for 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol?
The canonical SMILES for 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol is CCCN1CCC(O)(c2cccc(CC(C)C)c2)CC1.
What is the InChIKey of 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol?
The InChIKey is QARPXGHBTBGQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-10-19-11-8-18(20,9-12-19)17-7-5-6-16(14-17)13-15(2)3/h5-7,14-15,20H,4,8-13H2,1-3H3.
What are the key properties of 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol?
4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol has a molecular weight of 275.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpropyl)phenyl]-1-propylpiperidin-4-ol is sourced from PubChem (CID 116542318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).