1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid)

C19H28F9N3O6 — CID 160824941

IUPAC1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid)
SMILESC1CC(N2CCN(CC3CC3)CC2)CCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H25N3.3C2HF3O2/c1-2-12(1)11-15-7-9-16(10-8-15)13-3-5-14-6-4-13;3*3-2(4,5)1(6)7/h12-14H,1-11H2;3*(H,6,7)
InChIKeySGAMLTROCLOSFT-UHFFFAOYSA-N
MW565.43 g/mol
LogP2.67
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid)

1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid) (PubChem CID 160824941) has the molecular formula C19H28F9N3O6 and a molecular weight of 565.43 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid)
PubChem CID160824941
Molecular FormulaC19H28F9N3O6
Molecular Weight565.43 g/mol
Exact Mass565.18
IUPAC Name1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid)
SMILESC1CC(N2CCN(CC3CC3)CC2)CCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C13H25N3.3C2HF3O2/c1-2-12(1)11-15-7-9-16(10-8-15)13-3-5-14-6-4-13;3*3-2(4,5)1(6)7/h12-14H,1-11H2;3*(H,6,7)
InChIKeySGAMLTROCLOSFT-UHFFFAOYSA-N
XLogP2.67
TPSA130.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.43
LogP ≤ 52.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,4S)-2-Cyclopropylmethyl-2,5-diaza-bicyclo[2.2.1]heptane di-trifluoroacetic acid
CID 44890732
(1S,4S)-2-Cyclopropylmethyl-2,5-diaza-bicyclo[2.2.1]heptanedi-trifluoroaceticacid
CID 118705050
1-(Cyclopropylmethyl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 87315954
N-cyclopropylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 87891043
3-Fluoro-4-piperidin-1-ylpiperidine;2,2,2-trifluoroacetic acid
CID 134325115
1-Methyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid
CID 146455386
1-Piperidin-4-yl-4-propan-2-ylpiperazine;2,2,2-trifluoroacetic acid
CID 146455409
2,2,2-trifluoroacetic acid;(2R,6S)-1,2,6-trimethyl-4-piperidin-4-ylpiperazine
CID 146455439
2-[1-(1-Methylpiperidin-4-yl)piperidin-4-yl]ethanamine;2,2,2-trifluoroacetic acid
CID 158045490
1-(1-Cyclohexylpiperidin-4-yl)piperazine;2,2,2-trifluoroacetic acid
CID 158285509
1-Ethyl-4-piperidin-4-ylpiperazine;2,2,2-trifluoroacetic acid
CID 161936166
1-[(1-Methylpiperidin-4-yl)methyl]piperidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 162315628

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid)?
The IUPAC name of 1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid) (CID 160824941) is 1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid) is C1CC(N2CCN(CC3CC3)CC2)CCN1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid)?
The InChIKey is SGAMLTROCLOSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3.3C2HF3O2/c1-2-12(1)11-15-7-9-16(10-8-15)13-3-5-14-6-4-13;3*3-2(4,5)1(6)7/h12-14H,1-11H2;3*(H,6,7).
What are the key properties of 1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid)?
1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid) has a molecular weight of 565.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-piperidin-4-ylpiperazine;tris(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 160824941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).