4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol

C14H22FNO — CID 70875343

IUPAC4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol
SMILESCC1(C)CNCCC1(O)CC1=CC=C(F)CC1
InChIInChI=1S/C14H22FNO/c1-13(2)10-16-8-7-14(13,17)9-11-3-5-12(15)6-4-11/h3,5,16-17H,4,6-10H2,1-2H3
InChIKeyBKUVVMGCOKWLBM-UHFFFAOYSA-N
MW239.33 g/mol
LogP2.70
Rot. Bonds2

About 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol

4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol (PubChem CID 70875343) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol
PubChem CID70875343
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol
SMILESCC1(C)CNCCC1(O)CC1=CC=C(F)CC1
InChIInChI=1S/C14H22FNO/c1-13(2)10-16-8-7-14(13,17)9-11-3-5-12(15)6-4-11/h3,5,16-17H,4,6-10H2,1-2H3
InChIKeyBKUVVMGCOKWLBM-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol?
The IUPAC name of 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol (CID 70875343) is 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol.
What is the SMILES notation for 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol?
The canonical SMILES for 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol is CC1(C)CNCCC1(O)CC1=CC=C(F)CC1.
What is the InChIKey of 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol?
The InChIKey is BKUVVMGCOKWLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-13(2)10-16-8-7-14(13,17)9-11-3-5-12(15)6-4-11/h3,5,16-17H,4,6-10H2,1-2H3.
What are the key properties of 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol?
4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol has a molecular weight of 239.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3,3-dimethylpiperidin-4-ol is sourced from PubChem (CID 70875343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).