[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride

C14H21Cl2F3N2 — CID 169489145

IUPAC[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride
SMILESCC1CCCCN1c1cc(C(F)(F)F)ccc1CN.Cl.Cl
InChIInChI=1S/C14H19F3N2.2ClH/c1-10-4-2-3-7-19(10)13-8-12(14(15,16)17)6-5-11(13)9-18;;/h5-6,8,10H,2-4,7,9,18H2,1H3;2*1H
InChIKeyLHZXLHAYCBGIJC-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.39
Rot. Bonds2

About [2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride

[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride (PubChem CID 169489145) has the molecular formula C14H21Cl2F3N2 and a molecular weight of 345.24 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride
PubChem CID169489145
Molecular FormulaC14H21Cl2F3N2
Molecular Weight345.24 g/mol
Exact Mass344.10
IUPAC Name[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride
SMILESCC1CCCCN1c1cc(C(F)(F)F)ccc1CN.Cl.Cl
InChIInChI=1S/C14H19F3N2.2ClH/c1-10-4-2-3-7-19(10)13-8-12(14(15,16)17)6-5-11(13)9-18;;/h5-6,8,10H,2-4,7,9,18H2,1H3;2*1H
InChIKeyLHZXLHAYCBGIJC-UHFFFAOYSA-N
XLogP4.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2S)-2-methylpiperidin-1-yl]phenyl]methanamine
CID 26871970
[2-methyl-4-(2-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 169489236
[2-(2-methylmorpholin-4-yl)-4-(trifluoromethyl)phenyl]methanamine
CID 169489143
[4-[(2R)-2-methylpiperidin-1-yl]-3-pyridinyl]methanamine
CID 97053137
3-(aminomethyl)-4-(2-methylpyrrolidin-1-yl)aniline
CID 82506971
[3-bromo-4-(2-methylazepan-1-yl)phenyl]methanamine
CID 82793538
[4-chloro-2-(2-methylpiperidin-1-yl)phenyl]methanol
CID 114845110
[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
CID 107105459
N-[2-(2-methylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 23149642
2-chloro-6-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 102715411
[4-(2-methylpyrrolidin-1-yl)-3-pyridinyl]methanamine
CID 81249026
[2-(4-propan-2-ylpiperidin-1-yl)-5-(trifluoromethyl)phenyl]methanamine
CID 103505205

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride (CID 169489145) is [2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride is CC1CCCCN1c1cc(C(F)(F)F)ccc1CN.Cl.Cl.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride?
The InChIKey is LHZXLHAYCBGIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2.2ClH/c1-10-4-2-3-7-19(10)13-8-12(14(15,16)17)6-5-11(13)9-18;;/h5-6,8,10H,2-4,7,9,18H2,1H3;2*1H.
What are the key properties of [2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride?
[2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride has a molecular weight of 345.24 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperidin-1-yl)-4-(trifluoromethyl)phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 169489145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).