(2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid

C11H19F3N2O2 — CID 172731821

IUPAC(2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CNCCN1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2.C2HF3O2/c1-8-6-10-4-5-11(8)7-9-2-3-9;3-2(4,5)1(6)7/h8-10H,2-7H2,1H3;(H,6,7)/t8-;/m1./s1
InChIKeyHWZYBDLAJGMHMN-DDWIOCJRSA-N
MW268.28 g/mol
LogP1.32
Rot. Bonds2

About (2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid

(2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid (PubChem CID 172731821) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is (2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid
PubChem CID172731821
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name(2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid
SMILESC[C@@H]1CNCCN1CC1CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2.C2HF3O2/c1-8-6-10-4-5-11(8)7-9-2-3-9;3-2(4,5)1(6)7/h8-10H,2-7H2,1H3;(H,6,7)/t8-;/m1./s1
InChIKeyHWZYBDLAJGMHMN-DDWIOCJRSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid (CID 172731821) is (2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid is C[C@@H]1CNCCN1CC1CC1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid?
The InChIKey is HWZYBDLAJGMHMN-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H18N2.C2HF3O2/c1-8-6-10-4-5-11(8)7-9-2-3-9;3-2(4,5)1(6)7/h8-10H,2-7H2,1H3;(H,6,7)/t8-;/m1./s1.
What are the key properties of (2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid?
(2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid has a molecular weight of 268.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopropylmethyl)-2-methylpiperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 172731821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).