1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol

C16H22ClNO — CID 142274505

IUPAC1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol
SMILESCCC(C)N1CCC(O)(C2=CC=C(Cl)C=C=C2)CC1
InChIInChI=1S/C16H22ClNO/c1-3-13(2)18-11-9-16(19,10-12-18)14-5-4-6-15(17)8-7-14/h5-8,13,19H,3,9-12H2,1-2H3
InChIKeyFKTIYAJUCVRJTB-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.39
Rot. Bonds3

About 1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol

1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol (PubChem CID 142274505) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol
PubChem CID142274505
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol
SMILESCCC(C)N1CCC(O)(C2=CC=C(Cl)C=C=C2)CC1
InChIInChI=1S/C16H22ClNO/c1-3-13(2)18-11-9-16(19,10-12-18)14-5-4-6-15(17)8-7-14/h5-8,13,19H,3,9-12H2,1-2H3
InChIKeyFKTIYAJUCVRJTB-UHFFFAOYSA-N
XLogP3.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol?
The IUPAC name of 1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol (CID 142274505) is 1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol.
What is the SMILES notation for 1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol?
The canonical SMILES for 1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol is CCC(C)N1CCC(O)(C2=CC=C(Cl)C=C=C2)CC1.
What is the InChIKey of 1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol?
The InChIKey is FKTIYAJUCVRJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-3-13(2)18-11-9-16(19,10-12-18)14-5-4-6-15(17)8-7-14/h5-8,13,19H,3,9-12H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol?
1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol has a molecular weight of 279.81 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(4-chlorocyclohepta-1,3,5,6-tetraen-1-yl)piperidin-4-ol is sourced from PubChem (CID 142274505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).