1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid

C13H18F3N3O3 — CID 167924639

IUPAC1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid
SMILESCOc1ccnc(CN2CCNCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H17N3O.C2HF3O2/c1-15-11-2-3-13-10(8-11)9-14-6-4-12-5-7-14;3-2(4,5)1(6)7/h2-3,8,12H,4-7,9H2,1H3;(H,6,7)
InChIKeyZTMSWJVFOATBIZ-UHFFFAOYSA-N
MW321.30 g/mol
LogP1.13
Rot. Bonds3

About 1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid

1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid (PubChem CID 167924639) has the molecular formula C13H18F3N3O3 and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid
PubChem CID167924639
Molecular FormulaC13H18F3N3O3
Molecular Weight321.30 g/mol
Exact Mass321.13
IUPAC Name1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid
SMILESCOc1ccnc(CN2CCNCC2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C11H17N3O.C2HF3O2/c1-15-11-2-3-13-10(8-11)9-14-6-4-12-5-7-14;3-2(4,5)1(6)7/h2-3,8,12H,4-7,9H2,1H3;(H,6,7)
InChIKeyZTMSWJVFOATBIZ-UHFFFAOYSA-N
XLogP1.13
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
CID 22648051
1-[(4-ethoxy-2-pyridinyl)methyl]piperazine
CID 83890072
(3R)-8-[(4-methoxy-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95873944
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2,2,2-trifluoro-N-[4-methyl-3-[[2-(piperazin-1-ylmethyl)-4-pyridinyl]oxy]phenyl]acetamide
CID 87420721
7-methoxy-2-methyl-1'-(pyridin-2-ylmethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine];bis(2,2,2-trifluoroacetic acid)
CID 118746286
4-[(4-methoxy-2-pyridinyl)methyl]-1,4-thiazepane
CID 75503314
2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde
CID 84778549
5-(piperazin-1-ylmethyl)pyrimidine;2,2,2-trifluoroacetic acid
CID 170306096
(3R)-3-(2-methoxyethyl)-1-[(4-methoxy-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 97146296
methyl 5-tert-butyl-3-[[3-[[2-(1,4-diazepan-1-ylmethyl)-4-pyridinyl]oxy]-4-methylbenzoyl]amino]-2-methoxybenzoate
CID 67491703
(2R,3S)-2-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128978853
4-[(4-methoxy-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-6-carboxylic acid
CID 167923945

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid (CID 167924639) is 1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid is COc1ccnc(CN2CCNCC2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid?
The InChIKey is ZTMSWJVFOATBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.C2HF3O2/c1-15-11-2-3-13-10(8-11)9-14-6-4-12-5-7-14;3-2(4,5)1(6)7/h2-3,8,12H,4-7,9H2,1H3;(H,6,7).
What are the key properties of 1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid?
1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid has a molecular weight of 321.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167924639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).