1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride

C15H21Cl2F3N2 — CID 120838209

IUPAC1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C15H20ClF3N2.ClH/c1-10(20)12-2-4-21(5-3-12)9-11-6-13(15(17,18)19)8-14(16)7-11;/h6-8,10,12H,2-5,9,20H2,1H3;1H
InChIKeyGZBRWSVLJRHOBF-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.34
Rot. Bonds3

About 1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride

1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 120838209) has the molecular formula C15H21Cl2F3N2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride
PubChem CID120838209
Molecular FormulaC15H21Cl2F3N2
Molecular Weight357.25 g/mol
Exact Mass356.10
IUPAC Name1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1.Cl
InChIInChI=1S/C15H20ClF3N2.ClH/c1-10(20)12-2-4-21(5-3-12)9-11-6-13(15(17,18)19)8-14(16)7-11;/h6-8,10,12H,2-5,9,20H2,1H3;1H
InChIKeyGZBRWSVLJRHOBF-UHFFFAOYSA-N
XLogP4.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride (CID 120838209) is 1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride is CC(N)C1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1.Cl.
What is the InChIKey of 1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is GZBRWSVLJRHOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2.ClH/c1-10(20)12-2-4-21(5-3-12)9-11-6-13(15(17,18)19)8-14(16)7-11;/h6-8,10,12H,2-5,9,20H2,1H3;1H.
What are the key properties of 1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride?
1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 357.25 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120838209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).