(3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride

C19H21ClF3NO — CID 67638594

IUPAC(3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(OC[C@H]2CNCC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C19H20F3NO.ClH/c20-19(21,22)16-7-4-8-17(11-16)24-13-15-12-23-10-9-18(15)14-5-2-1-3-6-14;/h1-8,11,15,18,23H,9-10,12-13H2;1H/t15-,18-;/m1./s1
InChIKeyVZCDKQMUHATOCU-KQKCUOLZSA-N
MW371.83 g/mol
LogP4.90
Rot. Bonds4

About (3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride

(3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride (PubChem CID 67638594) has the molecular formula C19H21ClF3NO and a molecular weight of 371.83 g/mol. Its IUPAC name is (3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride
PubChem CID67638594
Molecular FormulaC19H21ClF3NO
Molecular Weight371.83 g/mol
Exact Mass371.13
IUPAC Name(3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(OC[C@H]2CNCC[C@@H]2c2ccccc2)c1
InChIInChI=1S/C19H20F3NO.ClH/c20-19(21,22)16-7-4-8-17(11-16)24-13-15-12-23-10-9-18(15)14-5-2-1-3-6-14;/h1-8,11,15,18,23H,9-10,12-13H2;1H/t15-,18-;/m1./s1
InChIKeyVZCDKQMUHATOCU-KQKCUOLZSA-N
XLogP4.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3-(phenoxymethyl)-4-phenylpiperidine
CID 131844495
(3S,4R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 52917329
oxalic acid;(3R,4S)-3-[(3-phenoxyphenoxy)methyl]-4-phenylpiperidine
CID 67638077
(3S,4R)-4-(4-fluorophenyl)-3-[[3-(trifluoromethyl)phenyl]methoxymethyl]piperidine
CID 52917913
(3R,4R)-4-phenyl-3-[(2-phenylphenoxy)methyl]piperidine
CID 69451601
(3S,4R)-3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67842104
(3R,4R)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 14181100
(3S,4S)-3-phenyl-4-[4-(trifluoromethyl)phenyl]piperidine
CID 56605871
3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
CID 19832107
2-ethyl-3-[(4-phenylpiperidin-3-yl)methoxy]pyridine
CID 69448397
2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117238349
N-piperidin-3-yl-2-[3-(trifluoromethyl)phenoxy]acetamide;hydrochloride
CID 119425494

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride?
The IUPAC name of (3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride (CID 67638594) is (3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride.
What is the SMILES notation for (3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride?
The canonical SMILES for (3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride is Cl.FC(F)(F)c1cccc(OC[C@H]2CNCC[C@@H]2c2ccccc2)c1.
What is the InChIKey of (3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride?
The InChIKey is VZCDKQMUHATOCU-KQKCUOLZSA-N. The full InChI is InChI=1S/C19H20F3NO.ClH/c20-19(21,22)16-7-4-8-17(11-16)24-13-15-12-23-10-9-18(15)14-5-2-1-3-6-14;/h1-8,11,15,18,23H,9-10,12-13H2;1H/t15-,18-;/m1./s1.
What are the key properties of (3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride?
(3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride has a molecular weight of 371.83 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-phenyl-3-[[3-(trifluoromethyl)phenoxy]methyl]piperidine;hydrochloride is sourced from PubChem (CID 67638594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).