1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol

C15H27NO — CID 168860981

IUPAC1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol
SMILESC=CCC1(C(O)C=C)CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO/c1-6-8-15(13(17)7-2)9-11-16(12-10-15)14(3,4)5/h6-7,13,17H,1-2,8-12H2,3-5H3
InChIKeyDDWJFMDAGYYHHB-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.99
Rot. Bonds4

About 1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol

1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol (PubChem CID 168860981) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol
PubChem CID168860981
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol
SMILESC=CCC1(C(O)C=C)CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H27NO/c1-6-8-15(13(17)7-2)9-11-16(12-10-15)14(3,4)5/h6-7,13,17H,1-2,8-12H2,3-5H3
InChIKeyDDWJFMDAGYYHHB-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol?
The IUPAC name of 1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol (CID 168860981) is 1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol is C=CCC1(C(O)C=C)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol?
The InChIKey is DDWJFMDAGYYHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-6-8-15(13(17)7-2)9-11-16(12-10-15)14(3,4)5/h6-7,13,17H,1-2,8-12H2,3-5H3.
What are the key properties of 1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol?
1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol has a molecular weight of 237.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butyl-4-prop-2-enylpiperidin-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 168860981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).