1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine

C13H18ClF3N4 — CID 114926345

IUPAC1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(N2CCN(CC(F)(F)F)CC2)ncc1Cl
InChIInChI=1S/C13H18ClF3N4/c1-18-7-10-6-12(19-8-11(10)14)21-4-2-20(3-5-21)9-13(15,16)17/h6,8,18H,2-5,7,9H2,1H3
InChIKeyQRAMAURDOQPZHO-UHFFFAOYSA-N
MW322.76 g/mol
LogP2.14
Rot. Bonds4

About 1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine

1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine (PubChem CID 114926345) has the molecular formula C13H18ClF3N4 and a molecular weight of 322.76 g/mol. Its IUPAC name is 1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine
PubChem CID114926345
Molecular FormulaC13H18ClF3N4
Molecular Weight322.76 g/mol
Exact Mass322.12
IUPAC Name1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine
SMILESCNCc1cc(N2CCN(CC(F)(F)F)CC2)ncc1Cl
InChIInChI=1S/C13H18ClF3N4/c1-18-7-10-6-12(19-8-11(10)14)21-4-2-20(3-5-21)9-13(15,16)17/h6,8,18H,2-5,7,9H2,1H3
InChIKeyQRAMAURDOQPZHO-UHFFFAOYSA-N
XLogP2.14
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925198
1-[2-(3-tert-butylpyrrolidin-1-yl)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927093
1-[5-chloro-2-(4-ethylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926597
1-[5-chloro-2-(1,3-dihydroisoindol-2-yl)-4-pyridinyl]-N-methylmethanamine
CID 114924863
1-[5-chloro-2-(4-propan-2-ylazepan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 114926604
4-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-3-amine
CID 79176141
N-[[5-chloro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 114925192
N-[[5-chloro-2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 114924960
1-[2-chloro-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-N-methylmethanamine
CID 62967711
1-[5-chloro-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-pyridinyl]-N-methylmethanamine
CID 114925026
N-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazin-2-amine
CID 80823874
N-[(5-chloro-2-piperidin-1-yl-4-pyridinyl)methyl]-2-methylpropan-1-amine
CID 114925179

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine (CID 114926345) is 1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine is CNCc1cc(N2CCN(CC(F)(F)F)CC2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine?
The InChIKey is QRAMAURDOQPZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N4/c1-18-7-10-6-12(19-8-11(10)14)21-4-2-20(3-5-21)9-13(15,16)17/h6,8,18H,2-5,7,9H2,1H3.
What are the key properties of 1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine?
1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine has a molecular weight of 322.76 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 114926345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).