1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride

C15H19ClF3NO — CID 3064342

IUPAC1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(c2cccc(C(F)(F)F)c2)CCN(C2CC2)CC1
InChIInChI=1S/C15H18F3NO.ClH/c16-15(17,18)12-3-1-2-11(10-12)14(20)6-8-19(9-7-14)13-4-5-13;/h1-3,10,13,20H,4-9H2;1H
InChIKeySJYUUQHROMPISM-UHFFFAOYSA-N
MW321.77 g/mol
LogP3.57
Rot. Bonds2

About 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride

1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride (PubChem CID 3064342) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride
PubChem CID3064342
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(c2cccc(C(F)(F)F)c2)CCN(C2CC2)CC1
InChIInChI=1S/C15H18F3NO.ClH/c16-15(17,18)12-3-1-2-11(10-12)14(20)6-8-19(9-7-14)13-4-5-13;/h1-3,10,13,20H,4-9H2;1H
InChIKeySJYUUQHROMPISM-UHFFFAOYSA-N
XLogP3.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride?
The IUPAC name of 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride (CID 3064342) is 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride is Cl.OC1(c2cccc(C(F)(F)F)c2)CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride?
The InChIKey is SJYUUQHROMPISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO.ClH/c16-15(17,18)12-3-1-2-11(10-12)14(20)6-8-19(9-7-14)13-4-5-13;/h1-3,10,13,20H,4-9H2;1H.
What are the key properties of 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride?
1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride has a molecular weight of 321.77 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 3064342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).